SCHEMBL5728822

SCHEMBL5728822

Cc1cc(NC(=O)Nc2ccccc2)no1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.77
NPC1 O15118 6/20 0.77
ALDH1A1 P00352 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
LMNA P02545 2/20 0.67
MAPK1 P28482 1/20 0.67
MAPT P10636 4/20 0.65
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 1/20 0.62
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
ALOX15 P16050 1/20 0.61

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
SCHEMBL28419496 0.86 RAB9A (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3939400 0.85 ALDH1A1 (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3939402 0.85 ALDH1A1 (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28413150 0.83 RAB9A (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29577697 0.81 RAB9A (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18235526 0.81 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4037899 0.81 ALDH1A1 (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11721588 0.80 MAPT (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2518089 0.80 MEN1 (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9817301 0.79 ALDH1A1 (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
EP-1559715-A4 N-¬2-CHLORO-4-(6,7-DIMETHOXY-4-QUINOLYL)OXY|PHENYL|-N'-(5-METHYL-3-ISOXAZOLYL)UREA SALT IN CRYSTALLINE FORM KIRIN BREWERY (JP) 2006-03-29 EP 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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 RAB9A 1332/4885NPC1 607/4885ALDH1A1 2749/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 1062/4885NPC1 472/4885ALDH1A1 3457/4885

“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.