SCHEMBL7601340

SCHEMBL7601340

CCc1ccc2nc(Br)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 5/20 0.67
TP53 P04637 3/20 0.46
MAPT P10636 7/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APP P05067 2/20 0.40

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
SCHEMBL14835983 0.83 CASP3 (0.56) RAB9ASMN1; SMN2NPC1GAAMAPK1
SCHEMBL10271447 0.81 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL2756575 0.81 RAB9A (0.67) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7407979 0.81 APP (0.54) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL19782653 0.81 RAB9A (0.45) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL2443034 0.80 CASP3 (0.51) RAB9ASMN1; SMN2NPC1
SCHEMBL19997568 0.80 RAB9A (0.65) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL142514 0.80 RAB9A (1.00) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL917810 0.80 RAB9A (0.65) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL28015160 0.80 RAB9A (0.65) RAB9ASMN1; SMN2NPC1TP53MAPT

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-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (5 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1313/4885SMN1; SMN2 4637/4885NPC1 119/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885SMN1; SMN2 4634/4885NPC1 122/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885SMN1; SMN2 4634/4885NPC1 122/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885SMN1; SMN2 4634/4885NPC1 122/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 RAB9A 748/4885SMN1; SMN2 3957/4885NPC1 2194/4885

“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.