SCHEMBL3109486

SCHEMBL3109486

O=Cc1nc(-c2ccccc2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.64
RAB9A P51151 6/20 0.64
NPC1 O15118 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
NR1H4 Q96RI1 2/20 0.57
CASP3 P42574 5/20 0.55
SENP8 Q96LD8 5/20 0.55
SENP7 Q9BQF6 5/20 0.55
SENP6 Q9GZR1 4/20 0.55
NOTUM Q6P988 2/20 0.53
KMT2A Q03164 4/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 2/20 0.51
CYP2C19 P33261 1/20 0.51
GPR55 Q9Y2T6 1/20 0.50
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47

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
SCHEMBL15062479 0.83 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1KMT2ACYP1A2
SCHEMBL18677997 0.82 RAB9A (0.66) SMN1; SMN2RAB9ANPC1L3MBTL1TDP1
SCHEMBL7958860 0.82 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1L3MBTL1TDP1
SCHEMBL29082295 0.81 KMT2A (0.60) SMN1; SMN2RAB9ANPC1L3MBTL1NR1H4
SCHEMBL4376192 0.81 RAB9A (0.65) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL12414422 0.80 CASP3 (0.66) SMN1; SMN2RAB9ANPC1L3MBTL1TDP1
SCHEMBL31633448 0.80 TP53 (0.52) SMN1; SMN2RAB9ANPC1L3MBTL1CASP3
SCHEMBL27901307 0.78 NOTUM (0.44) SMN1; SMN2RAB9ANPC1L3MBTL1TDP1
SCHEMBL2089121 0.77 RAB9A (0.58) SMN1; SMN2RAB9ANPC1L3MBTL1TDP1
SCHEMBL31633437 0.75 RAB9A (0.59) SMN1; SMN2RAB9ANPC1L3MBTL1TDP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
CN-115697979-B Substituted aminothiazoles as DGKZETA inhibitors for immune activation 拜耳公司 2025-06-24 CN disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3572402-B1 LINKED CYCLIC COMPOUND AS CASPASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-05-04 EP disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-2854804-B1 PYRROLIDINO HETEROCYCLES HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE SMN1; SMN2 3350/4885RAB9A 512/4885NPC1 37/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 SMN1; SMN2 2461/4885RAB9A 1270/4885NPC1 1819/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE SMN1; SMN2 3350/4885RAB9A 512/4885NPC1 37/4885

“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.