SCHEMBL264132

SCHEMBL264132

C=C(C)c1nc2ccc(C(=O)O)cc2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
HSP90AA1 P07900 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
HSD17B10 Q99714 2/20 0.37
GRM1 Q13255 1/20 0.36
TSHR P16473 2/20 0.36
MYC P01106 1/20 0.36

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
SCHEMBL6642837 0.81 TDP1 (0.47) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL16621408 0.79 TDP1 (0.66) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL30024677 0.76 TDP1 (0.53) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL23757123 0.76 TDP1 (0.53) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL21290591 0.75 TDP1 (0.47) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL4428208 0.74 NPC1 (0.67) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL20836602 0.74 NPC1 (0.54) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL16620893 0.74 TDP1 (0.50) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL13629231 0.74 TDP1 (0.52) TDP1KDM4EALDH1A1HPGDGAA
SCHEMBL22110718 0.71 TDP1 (0.64) TDP1HSP90AA1ESR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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 (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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 TDP1 3439/4885HSP90AA1 3959/4885ESR2 653/4885

“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.