SCHEMBL2199263

SCHEMBL2199263

CC(N)c1cnc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
HPGDS O60760 2/20 0.44
MAPT P10636 5/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 2/20 0.40
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
IDH1 O75874 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20558976 1.00 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2819462 0.85 ALDH1A1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16088994 0.84 CDC7 (0.43) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL16088995 0.83 HPGDS (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16096673 0.83 SMN1; SMN2 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16044032 0.83 SMN1; SMN2 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12790160 0.82 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL16043212 0.81 SMN1; SMN2 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16088996 0.80 IDH1 (0.40) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL10191826 0.79 ALDH1A1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US disclosed
EP-3404021-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2018-11-21 EP disclosed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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 (3 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 NPC1 657/4885RAB9A 2693/4885ALDH1A1 398/4885
US-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E NPC1 3593/4885RAB9A 2028/4885ALDH1A1 3247/4885
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E NPC1 3072/4885RAB9A 2100/4885ALDH1A1 3220/4885

“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.