SCHEMBL2961608

SCHEMBL2961608

Cc1ccc(Sc2ccc(NC(=O)CCCc3ccccc3)cc2)c(Nc2ccnc3nc(C)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MCL1 Q07820 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MMP2 P08253 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
SCHEMBL2970821 0.90 MET (0.37) RAB9ANPC1SMN1; SMN2ADORA3MAOB
SCHEMBL2970540 0.89 KDM4E (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2970598 0.85 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL2023477 0.83 AURKA (0.41) RAB9ANPC1SMN1; SMN2POLBADORA1
SCHEMBL2964541 0.83 CETP (0.47) NPC1SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL2968955 0.82 MAPT (0.45) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL2968604 0.82 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2022548 0.81 ALDH1A1 (0.48) SMN1; SMN2POLBALDH1A1HPGDHDAC3
SCHEMBL2018796 0.81 PIM1 (0.42) SMN1; SMN2POLBADORA1MAPTPIM1
SCHEMBL2970840 0.81 SMN1; SMN2 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 RAB9A 571/4885NPC1 37/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 RAB9A 571/4885NPC1 37/4885SMN1; SMN2 3135/4885

“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.