SCHEMBL4247795

SCHEMBL4247795

CNC(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 5/20 0.56
ERCC4 Q92889 5/20 0.56
P2RX7 Q99572 4/20 0.56
GALR3 O60755 1/20 0.55
NR2F2 P24468 1/20 0.55
KMT2A Q03164 3/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 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
SCHEMBL9926464 0.84 P2RX7 (0.51) P2RX7GALR3NR2F2
SCHEMBL4709927 0.84 P2RX7 (0.48) ERCC1ERCC4P2RX7GALR3NR2F2
SCHEMBL8204517 0.83 ERCC1 (0.54) ERCC1ERCC4P2RX7GALR3NR2F2
SCHEMBL8424664 0.83 ERCC1 (0.61) ERCC1ERCC4P2RX7GALR3NR2F2
SCHEMBL13329827 0.83 P2RX7 (0.52) P2RX7
SCHEMBL9523440 0.82 ALDH1A1 (0.65) ERCC1ERCC4P2RX7GALR3NR2F2
SCHEMBL30545006 0.82 ALDH1A1 (0.65) ERCC1ERCC4P2RX7GALR3NR2F2
SCHEMBL8233977 0.81 KDM4E (0.62) ERCC1ERCC4P2RX7GALR3NR2F2
SCHEMBL12366792 0.81 RECQL (0.55) ERCC1ERCC4P2RX7GALR3NR2F2
SCHEMBL3874153 0.81 HIF1A (0.58) ERCC1ERCC4KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20090099192-A1 Substituted 1H-pyrrole-2,5-diones BAYER CROPSCIENCE AG (DE) 2009-04-16 US disclosed
US-20090099192-A1 Substituted 1H-pyrrole-2,5-diones BAYER CROPSCIENCE AG (DE) 2009-04-16 US disclosed
US-20090099192-A1 Substituted 1H-pyrrole-2,5-diones BAYER CROPSCIENCE AG (DE) 2009-04-16 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 (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-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ERCC1 3605/4885ERCC4 3343/4885P2RX7 1041/4885
US-20090099192-A1 Substituted 1H-pyrrole-2,5-diones PYCR1, COX5A, COX5B ERCC1 4042/4885ERCC4 4690/4885P2RX7 2281/4885

“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.