SCHEMBL6502585

SCHEMBL6502585

CCCCc1ccc(CO)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
HIF1A Q16665 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49

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
SCHEMBL5107174 0.89 SMN1; SMN2 (0.45) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL24081206 0.85 NFKB1 (0.54) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL2619347 0.85 NFKB1 (0.54) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL20411973 0.83 NFKB1 (0.53) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
Ammonia Solution, Strong SCHEMBL7978427 0.83 NFKB1 (0.53) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL7523389 0.81 NFKB1 (0.51) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL23531409 0.81 RAB9A (0.54) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL2858676 0.81 NFKB1 (0.51) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL21339921 0.81 NFKB1 (0.50) NFKB1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL5712637 0.81 RAB9A (0.53) NFKB1L3MBTL1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 EP disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 US disclosed
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 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 (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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 NFKB1 2186/4885L3MBTL1 4632/4885ALDH1A1 440/4885

“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.