SCHEMBL2977398

SCHEMBL2977398

COc1ccc(-c2ccc(CNCCC(N)c3nsc4ccccc34)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
SMPD1 P17405 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 4/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL2968831 0.93 KMT2A (0.40) KMT2AMEN1SMPD1HPGDHSD17B10
SCHEMBL2969567 0.88 KMT2A (0.43) KMT2AMEN1RAB9ALMNATP53
SCHEMBL2973227 0.88 SMPD1 (0.39) KMT2AMEN1SMPD1HPGDHSD17B10
SCHEMBL6109375 0.86 HTR2A (0.38) KMT2AMEN1HPGDHSD17B10KDM4E
SCHEMBL2977514 0.84 CASR (0.41) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL2978673 0.82 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL2977238 0.80 CHRM2 (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL2968869 0.80 MAPK1 (0.41) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2979165 0.80 SCN8A (0.39) MAPTLMNATP53
SCHEMBL2969371 0.79 PDE4B (0.38) KMT2AMEN1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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 (1 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS KMT2A 2900/4885MEN1 4684/4885SMPD1 2927/4885

“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.