SCHEMBL3174491

SCHEMBL3174491

CC(c1c(-c2ccccc2)n[nH]c1Cl)[S+]([O-])c1ccccc1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 11/20 0.40
NPC1 O15118 10/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CYP2C9 P11712 4/20 0.39
SMO Q99835 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL3809182 0.80 RAB9A (0.44) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL2078904 0.80 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL3825356 0.72 NPC1 (0.48) MEN1KMT2AALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL2077178 0.71 NPC1 (0.48) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3174486 0.71 CYP2C9 (0.46) MEN1KMT2AALDH1A1CYP1A2HPGD
SCHEMBL2079501 0.68 KDR (0.47) ALDH1A1HPGDRAB9ANPC1KDM4E
SCHEMBL2077423 0.67 NPC1 (0.54) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2078682 0.65 MEN1 (0.42) MEN1KMT2ACYP1A2HPGDMAPT
SCHEMBL7643064 0.65 NPC1 (0.81) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL3383353 0.62 RECQL (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659298-B2 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethylsulphanyl)-N-quinolin-3-ylbenzamide; 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethoxy)-N-naphthalin-2-ylbenzamide; obesity, including obesity of the non-insuline-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-02-09 US disclosed
US-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-01-25 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 (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-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MEN1 1259/4885KMT2A 3410/4885ALDH1A1 2239/4885

“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.