SCHEMBL7155752

SCHEMBL7155752

O=C(NCCc1ccc(Cl)cc1)c1ccc(Br)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
HPGD P15428 6/20 0.76
RAB9A P51151 5/20 0.76
NPC1 O15118 5/20 0.76
MAPT P10636 6/20 0.73
THRB P10828 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
KMT2A Q03164 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
GLA P06280 1/20 0.62
LMNA P02545 3/20 0.61
TP53 P04637 2/20 0.61
GAA P10253 2/20 0.58
POLB P06746 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL31337274 0.86 HPGD (1.00) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL7159563 0.84 ALDH1A1 (1.00) ALDH1A1HPGDRAB9AMAPTTHRB
SCHEMBL3201536 0.79 ALDH1A1 (0.83) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL3200646 0.78 HPGD (0.66) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL6360984 0.78 ALDH1A1 (0.80) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL28958744 0.77 MAPT (0.61) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL28958700 0.77 ALDH1A1 (0.73) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL10707325 0.76 ALDH1A1 (0.83) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL4020988 0.76 RAB9A (0.70) ALDH1A1HPGDRAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL10710405 0.76 ALDH1A1 (0.77) ALDH1A1HPGDRAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 ALDH1A1 1831/4885HPGD 691/4885RAB9A 2435/4885
US-20030232841-A1 Heterocyclic carboxamides HTR1A, HTR1D, NPY1R ALDH1A1 1831/4885HPGD 691/4885RAB9A 2435/4885
US-20010041705-A1 Heterocyclic carboxamides HTR1A, HTR1D, NPY1R ALDH1A1 1831/4885HPGD 691/4885RAB9A 2435/4885

“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.