SCHEMBL2885131

SCHEMBL2885131

Clc1nc2nc(-c3ccccc3)ncc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALPL P05186 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
SCHEMBL1292908 0.81 ADORA3 (0.53) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL9119522 0.80 CDK5 (0.46) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10604271 0.76 ADORA3 (0.57) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL22777765 0.74 MEN1 (0.45) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL29448112 0.74 MEN1 (0.45) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL31665906 0.73 NOS3 (0.49) NPC1CYP3A4
SCHEMBL2885130 0.73 NPC1 (0.42) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL680856 0.72 CDK2 (0.55) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL539008 0.72 KDM4E (0.53) NPC1RAB9A
Hydrochloric Acid SCHEMBL4456682 0.71 CDK2 (0.54) HPGDSNPC1RAB9ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
CN-100567270-C Sulfone amide derivative BANYU PHARMA CO LTD (JP) 2009-12-09 CN disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US disclosed
CN-1922155-A Novel Sulfonamide Derivatives BANYU PHARMA CO LTD (JP) 2007-02-28 CN disclosed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 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 (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-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R HPGDS 1159/4885NPC1 3164/4885RAB9A 2356/4885

“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.