SCHEMBL19986428

SCHEMBL19986428

Cc1ccc(F)cc1C(=O)Nc1cccc(Br)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.51
OXTR P30559 2/20 0.51
AVPR1A P37288 2/20 0.51
LMNA P02545 3/20 0.47
ESR1 P03372 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F2R P25116 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.42

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
SCHEMBL16320326 0.87 FADS1 (0.53) LMNAESR1KDM4EALDH1A1RXFP1
SCHEMBL143887 0.85 F2R (0.44) LMNAESR1KDM4EALDH1A1RXFP1
SCHEMBL16320563 0.84 NPC1 (0.50) LMNAESR1KDM4EALDH1A1RXFP1
SCHEMBL16320376 0.81 NPC1 (0.43) LMNAKDM4EALDH1A1RXFP1NPC1
SCHEMBL26108369 0.80 MEN1 (0.63) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL30586984 0.80 MEN1 (0.63) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL149172 0.79 AGER (0.53) LMNAALDH1A1NPC1RAB9ATP53
SCHEMBL17904699 0.79 NPC1 (0.61) LMNAKDM4EALDH1A1RXFP1NPC1
SCHEMBL16320162 0.77 KMT2A (0.49) LMNAALDH1A1NPC1RAB9AHTT
SCHEMBL16320407 0.76 NPC1 (0.49) LMNAKDM4ENPC1RAB9ATP53

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-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 AVPR2 4481/4885OXTR 4427/4885AVPR1A 4814/4885

“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.