SCHEMBL8369698

SCHEMBL8369698

CNC(=O)Nc1ccccc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
RECQL P46063 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
POLB P06746 2/20 0.65
HPGD P15428 3/20 0.64
DDX3X O00571 2/20 0.62
ITGB3 P05106 2/20 0.61
ITGAV P06756 2/20 0.61
ITGB1 P05556 1/20 0.61
ITGA5 P08648 1/20 0.61
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX12 P18054 1/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL1275926 0.89 RAB9A (0.75) ALDH1A1RAB9ANPC1POLBHPGD
SCHEMBL14003501 0.87 ALDH1A1 (1.00) ALDH1A1RECQLSMN1; SMN2RAB9ANPC1
SCHEMBL6857852 0.83 NPC1 (0.88) ALDH1A1RECQLSMN1; SMN2RAB9ANPC1
SCHEMBL11057754 0.82 POLB (0.63) ALDH1A1RECQLSMN1; SMN2RAB9ANPC1
SCHEMBL5475011 0.82 POLB (0.68) ALDH1A1RAB9ANPC1POLBHPGD
SCHEMBL8334833 0.82 RAB9A (0.64) ALDH1A1RAB9ANPC1POLBHPGD
SCHEMBL8421705 0.82 RAB9A (0.64) ALDH1A1RAB9ANPC1POLBHPGD
SCHEMBL14401688 0.81 ALDH1A1 (0.60) ALDH1A1RECQLSMN1; SMN2RAB9ANPC1
SCHEMBL9686399 0.81 ALDH1A1 (0.60) ALDH1A1RECQLSMN1; SMN2RAB9ANPC1
SCHEMBL28416832 0.81 ALDH1A1 (0.87) ALDH1A1RECQLSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2019-07-16 US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 US disclosed
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed
US-20140163028-A1 INHIBITION OF ACTIVATED CDC42-ASSOCIATED KINASE 1 INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER (US) 2014-06-12 US disclosed
US-8658655-B2 Inhibition of activated cdc42-associated kinase 1 FOX CHASE CANCER CENTER (US) 2014-02-25 US disclosed
US-20120245173-A1 INHIBITION OF ACTIVATED CDC42-ASSOCIATED KINASE 1 Reaction Biology Corporation (US) 2012-09-27 US disclosed
WO-2009076434-A1 INHIBITORS OF INTEGRIN VLA-4 MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2003030889-A1 PARA-AMINO BENZOIC ACIDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-04-17 WO disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 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 (4 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-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 ALDH1A1 968/4885RECQL 4804/4885SMN1; SMN2 1062/4885
US-20120245173-A1 INHIBITION OF ACTIVATED CDC42-ASSOCIATED KINASE 1 TNK2, CDC42BPA, CDC42BPG ALDH1A1 4776/4885RECQL 3121/4885SMN1; SMN2 3783/4885
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof HCRTR2, HCRTR1, NPSR1 ALDH1A1 968/4885RECQL 4804/4885SMN1; SMN2 1062/4885
US-20140163028-A1 INHIBITION OF ACTIVATED CDC42-ASSOCIATED KINASE 1 TNK2, CDC42BPA, CDC42BPG ALDH1A1 4776/4885RECQL 3121/4885SMN1; SMN2 3783/4885

“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.