SCHEMBL7160965

SCHEMBL7160965

O=C(NCc1ccc(F)cc1)c1ccc(Br)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ESR1 P03372 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 2/20 0.54
AKT3 Q9Y243 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP1A2 P05177 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
SCHEMBL2674276 0.87 KMT2A (0.59) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL7163662 0.85 RAB9A (0.74) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL4927332 0.84 HPGD (0.65) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL25848982 0.84 KMT2A (0.56) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL7156108 0.81 KMT2A (0.70) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL2203603 0.79 HDAC1 (0.77) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL6361569 0.77 NPC1 (0.74) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL8244269 0.75 KMT2A (0.60) KMT2AGAANPSR1RXFP1KDM4E
SCHEMBL4919795 0.75 L3MBTL1 (0.60) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL6679842 0.75 MGLL (0.54) KMT2AGAANPSR1RXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2018-08-09 US disclosed
EP-3351541-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. (US) 2018-07-25 EP disclosed
US-9938255-B2 Metalloenzyme inhibitor compounds VPS-3, INC. (US) 2018-04-10 US disclosed
EP-2788343-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (NC) INC (US) 2018-02-28 EP disclosed
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2016-07-28 US disclosed
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2016-07-28 US disclosed
US-9309273-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309273-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 US disclosed
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 US disclosed
WO-2013090210-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed
US-20030232841-A1 Heterocyclic carboxamides PFIZER INC 2003-12-18 US disclosed
US-6602874-B2 5-(2-(4-methylpiperazin-1-yl)-phenyl)- furan-2-carboxylic acid 4-chlorobenzylamide, for example; treating or preventing migraine, depression and other disorders for which a 5-HT1, agonist or antagonist is indicated PFIZER INC. 2003-08-05 US disclosed
US-6537995-B2 Selective serotonin receptor agonists and antagonists used to treat migraines, depression, anxiety and schizophrenia; sertraline PFIZER INC. 2003-03-25 US disclosed
EP-0957099-B1 Heterocyclic carboxamides PFIZER PROD INC (US) 2002-11-20 EP disclosed
US-20020002168-A1 Heterocyclic carboxamides HOWARD HARRY R (US) 2002-01-03 US disclosed
US-20010041705-A1 Heterocyclic carboxamides HOWARD HARRY R (US) 2001-11-15 US disclosed
US-6277852-B1 FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC 2001-08-21 US disclosed
EP-0957099-A2 Heterocyclic carboxamides Pfizer Products Inc. (US) 1999-11-17 EP 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 (6 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-20020002168-A1 Heterocyclic carboxamides HTR1A, HTR1D, NPY1R KMT2A 857/4885GAA 4243/4885NPSR1 80/4885
US-20030232841-A1 Heterocyclic carboxamides HTR1A, HTR1D, NPY1R KMT2A 857/4885GAA 4243/4885NPSR1 80/4885
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KMT2A 1886/4885GAA 6/4885NPSR1 2998/4885
US-20010041705-A1 Heterocyclic carboxamides HTR1A, HTR1D, NPY1R KMT2A 857/4885GAA 4243/4885NPSR1 80/4885
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KMT2A 1886/4885GAA 6/4885NPSR1 2998/4885
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KMT2A 1886/4885GAA 6/4885NPSR1 2998/4885

“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.