SCHEMBL4770160

SCHEMBL4770160

O=[N+]([O-])c1cccc(Cl)c1SCCCCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.40
USP7 Q93009 1/20 0.39
USP47 Q96K76 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR35 Q9HC97 1/20 0.37
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4767130 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMAPK1POLB
SCHEMBL8324741 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL11206055 0.77 APEX1 (0.48) ALDH1A1KDM4ELMNATDP1MEN1
SCHEMBL7288357 0.76 TDP1 (0.41) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL30111052 0.76 MEN1 (0.54) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL8327255 0.76 MEN1 (0.54) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL8462873 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL7288363 0.75 GSTP1 (0.52) ALDH1A1KDM4ETDP1TSHRL3MBTL1
SCHEMBL30559692 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL6556643 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 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-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B ALDH1A1 1702/4885KDM4E 2556/4885LMNA 3475/4885

“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.