SCHEMBL1919858

SCHEMBL1919858

Clc1nc2ccccc2c2c[nH]cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
METAP1 P53582 1/20 0.42
KMT2A Q03164 1/20 0.41
GPR3 P46089 2/20 0.41
NOS1 P29475 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL516091 0.81 TDP1 (0.59) MAOAMAOBTDP1KDM4EPKM
SCHEMBL14865253 0.76 GPR3 (0.41) MAOAMAOBTDP1KDM4EKMT2A
SCHEMBL1920659 0.73 MAOA (0.45) MAOAMAOBTDP1KDM4EPKM
SCHEMBL730937 0.72 MAOA (0.44) MAOAMAOBTDP1KDM4EPKM
SCHEMBL16415898 0.71 HTR6 (0.50) MAOAMAOBTDP1KDM4EPKM
SCHEMBL6679033 0.70 MAOA (0.70) MAOAMAOBTDP1KDM4EPKM
SCHEMBL29389300 0.70 MAOA (0.56) MAOAMAOBTDP1KDM4EPKM
SCHEMBL92707 0.70 MAOA (0.56) MAOAMAOBTDP1KDM4EPKM
SCHEMBL31057998 0.69 ALDH1A1 (0.40) TDP1KDM4EKMT2AGPR3ALDH1A1
SCHEMBL1864447 0.69 ALDH1A1 (0.40) TDP1KDM4EKMT2AGPR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326645-B9 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2013-04-17 EP disclosed
EP-2326645-B1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2012-11-07 EP disclosed
US-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMI. RIUN. ANG. FRANC. A.C.R.A.F. S.p.A. (IT) 2011-06-30 US disclosed
CN-102099358-A Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2011-06-15 CN disclosed
EP-2326645-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2011-06-01 EP disclosed
WO-2010012611-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-02-04 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 (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-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT TPH1, TPH2, HTR1A MAOA 27/4885MAOB 25/4885TDP1 1610/4885

“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.