SCHEMBL2850872

SCHEMBL2850872

Nc1cc(Cl)ccc1Sc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 5/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
PDE7A Q13946 5/20 0.50
PDE7B Q9NP56 2/20 0.50
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3521485 0.88 PDE7A (0.54) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL9629853 0.87 SLC6A2 (0.57) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL4962252 0.83 MEN1 (0.53) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL5430741 0.81 ALDH1A1 (0.49) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL20535522 0.80 MEN1 (0.50) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL31016398 0.79 CYP1A2 (0.53) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL1713296 0.79 CYP1A2 (0.53) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL15227961 0.78 MAPT (0.85) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL30811359 0.78 ALDH1A1 (0.56) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL866005 0.78 ALDH1A1 (0.56) HPGDALDH1A1KDM4EMAPTLMNA

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
EP-1910361-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B HPGD 1204/4885ALDH1A1 1702/4885KDM4E 2556/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 HPGD 1358/4885ALDH1A1 3589/4885KDM4E 2869/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 HPGD 1358/4885ALDH1A1 3589/4885KDM4E 2869/4885

“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.