SCHEMBL7219285

SCHEMBL7219285

COC(=O)c1ccc(-n2ccc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.58
BIRC5 O15392 1/20 0.53
TSHR P16473 1/20 0.49
MGLL Q99685 1/20 0.48
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR4A2 P43354 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL31464044 0.84 BIRC5 (0.49) FGFR1BIRC5TSHRMGLLRAB9A
SCHEMBL6075112 0.84 HPGD (0.52) BIRC5HTTALDH1A1HPGDNPSR1
SCHEMBL30201534 0.82 FGFR1 (0.56) FGFR1TSHRKDM4EALDH1A1HPGD
SCHEMBL3975054 0.82 FGFR1 (0.60) FGFR1TSHRMGLLHTTKDM4E
SCHEMBL4604283 0.82 FGFR1 (0.56) FGFR1TSHRKDM4EALDH1A1HPGD
SCHEMBL9057476 0.82 MAPT (0.44) FGFR1BIRC5TSHRMGLLKDM4E
SCHEMBL29374301 0.81 BIRC5 (0.59) BIRC5TSHRMGLLRAB9AL3MBTL1
SCHEMBL7213172 0.81 BIRC5 (0.59) BIRC5TSHRMGLLRAB9AL3MBTL1
SCHEMBL26436188 0.80 HTT (0.51) FGFR1HTTALDH1A1MAPT
SCHEMBL10295997 0.80 BIRC5 (0.57) BIRC5TSHRMGLLALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
US-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 US disclosed
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 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 (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-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 FGFR1 181/4885BIRC5 1814/4885TSHR 1068/4885
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 FGFR1 837/4885BIRC5 3072/4885TSHR 2565/4885

“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.