SCHEMBL890214

SCHEMBL890214

Cc1ccc(-c2ncc(C)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HDAC4 P56524 2/20 0.46
NOS1 P29475 1/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
ALOX5 P09917 3/20 0.40
SRC P12931 1/20 0.40
CDK2 P24941 1/20 0.40
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
NPC1 O15118 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HDAC1 Q13547 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10013485 0.98 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHDAC4NOS1
SCHEMBL18725088 0.85 HDAC4 (0.44) SMN1; SMN2ALDH1A1LMNAHDAC4NOS1
SCHEMBL31219241 0.83 NOS1 (0.48) SMN1; SMN2ALDH1A1LMNAHDAC4NOS1
SCHEMBL10013482 0.83 HDAC4 (0.54) SMN1; SMN2ALDH1A1LMNAHDAC4RAB9A
SCHEMBL2095938 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAHDAC4RAB9A
SCHEMBL2090445 0.83 APP (0.44) ALDH1A1LMNAHDAC4NOS1RAB9A
SCHEMBL12987266 0.83 HSD17B1 (0.49) ALDH1A1LMNAHDAC4NOS1RAB9A
SCHEMBL158096 0.83 HDAC4 (0.52) SMN1; SMN2ALDH1A1LMNAHDAC4NOS1
SCHEMBL13697899 0.83 RAB9A (0.49) SMN1; SMN2ALDH1A1LMNAHDAC4RAB9A
SCHEMBL14195545 0.82 HDAC4 (0.43) SMN1; SMN2ALDH1A1HDAC4NOS1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146896-A1 BICYCLIC-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-8765731-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 US disclosed
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-20 US disclosed
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-25 US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 US disclosed
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 US disclosed
US-8389555-B2 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2013-03-05 US disclosed
US-8354419-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-15 US disclosed
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED 2011-07-14 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 US disclosed
WO-2011009084-A2 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 WO disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS SMN1; SMN2 3152/4885ALDH1A1 241/4885LMNA 2380/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SMN1; SMN2 4584/4885ALDH1A1 219/4885LMNA 4878/4885
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, IRF3, IFNAR1 SMN1; SMN2 783/4885ALDH1A1 1562/4885LMNA 1155/4885
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 SMN1; SMN2 913/4885ALDH1A1 969/4885LMNA 797/4885
US-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 SMN1; SMN2 3079/4885ALDH1A1 184/4885LMNA 3969/4885
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B SMN1; SMN2 868/4885ALDH1A1 2147/4885LMNA 1189/4885
US-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B SMN1; SMN2 868/4885ALDH1A1 2147/4885LMNA 1189/4885
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, BLVRB, RRP1B SMN1; SMN2 599/4885ALDH1A1 2048/4885LMNA 946/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SMN1; SMN2 4269/4885ALDH1A1 354/4885LMNA 2791/4885
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 SMN1; SMN2 913/4885ALDH1A1 969/4885LMNA 797/4885
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 SMN1; SMN2 913/4885ALDH1A1 969/4885LMNA 797/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.