SCHEMBL3698543

SCHEMBL3698543

CCCCNS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.69
SCN1A P35498 2/20 0.69
SCN2A Q99250 2/20 0.69
SCN3A Q9NY46 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
HSD17B10 Q99714 2/20 0.69
CYP2C9 P11712 1/20 0.69
MEN1 O00255 1/20 0.62
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
NPY5R Q15761 4/20 0.57
RECQL P46063 1/20 0.56
HTR7 P34969 2/20 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
SCHEMBL27488281 0.95 CYP1A2 (0.72) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL29141930 0.94 CYP3A4 (0.74) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL3680789 0.90 CYP3A4 (0.64) CYP3A4SCN1ASCN2ASCN3ACYP1A2
Bromide SCHEMBL28238291 0.87 CYP3A4 (0.61) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL23072066 0.86 CYP3A4 (0.68) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL29941644 0.85 SCN1A (0.51) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL31265340 0.84 ALDH1A1 (0.64) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL18553835 0.84 ALDH1A1 (0.64) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL2878189 0.83 SCN1A (0.59) CYP3A4SCN1ASCN2ASCN3ACYP1A2
SCHEMBL10981545 0.83 PRKCG (0.74) CYP3A4CYP1A2CYP2C19ALDH1A1MEN1

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-20230125270-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed
US-20180181000-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-06-28 US disclosed
US-20120118616-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, POLYIMIDE RESIN FILM USING SAME, AND FLEXIBLE PRINTED CIRCUIT BOARD SUMITOMO ELECTRIC PRINTED CIRCUITS, INC. (JP) 2012-05-17 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
US-4146550-A REACTION OF CARBAMIC ACID CHLORIDE WITH ACTIVE HYDROGEN COMPOUND, DECOMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 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 (2 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-20180181000-A1 RADIATION SENSITIVE COMPOSITION RER1, RAD1, RAD51 CYP3A4 1282/4885SCN1A 2711/4885SCN2A 3017/4885
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION XRCC6, RAD50, XRCC5 CYP3A4 585/4885SCN1A 3828/4885SCN2A 4474/4885

“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.