SCHEMBL638831

SCHEMBL638831

O=C(CBr)Nc1ccc(Br)cc1C(=O)c1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL1198848 0.88 TP53 (0.61) TP53MAPK1HTTNPSR1CYP1A2
SCHEMBL9573562 0.86 ALDH1A1 (0.48) TP53ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5550221 0.85 HTT (0.62) TP53MAPK1HTTNPSR1CYP1A2
SCHEMBL26648967 0.84 MAPK1 (0.55) TP53MAPK1HTTNPSR1CYP1A2
SCHEMBL5583502 0.83 MAPK1 (0.57) TP53MAPK1HTTNPSR1CYP1A2
SCHEMBL11880121 0.82 SMN1; SMN2 (0.50) MAPK1HTTALDH1A1MAPTLMNA
SCHEMBL8586004 0.82 TP53 (0.62) TP53MAPK1HTTNPSR1CYP1A2
SCHEMBL14998701 0.80 TP53 (0.57) TP53MAPK1HTTNPSR1CYP1A2
SCHEMBL7285934 0.80 ALDH1A1 (0.49) TP53MAPK1HTTNPSR1CYP1A2
SCHEMBL8272439 0.79 LMNA (0.54) TP53MAPK1HTTNPSR1CYP1A2

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-8119629-B2 Carboxamide GABAA α2 modulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20090093466-A1 Carboxamide GABAa ALPHA2 Modulators BRISTOL-MYERS SQUIBB COMPANY 2009-04-09 US disclosed
WO-2009046004-A1 CARBOXAMIDE GABAA ALPHA2 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-09 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-20090093466-A1 Carboxamide GABAa ALPHA2 Modulators GABRA2, GABRB2, GABRB1 TP53 4882/4885MAPK1 3305/4885HTT 2347/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 TP53 4527/4885MAPK1 4060/4885HTT 800/4885

“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.