SCHEMBL9720756

SCHEMBL9720756

Cc1ccc(/C=C/c2ccccc2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.56
FGF23 Q9GZV9 2/20 0.51
TSHR P16473 1/20 0.44
NR1H3 Q13133 1/20 0.42
RELA Q04206 1/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.38
CYP2A6 P11509 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL13917683 1.00 NFE2L2 (0.56) NFE2L2FGF23TSHRNR1H3RELA
SCHEMBL9720760 1.00 NFE2L2 (0.56) NFE2L2FGF23TSHRNR1H3RELA
SCHEMBL553822 0.91 NR1H3 (0.44) NFE2L2FGF23TSHRNR1H3RELA
SCHEMBL21574808 0.91 NR1H3 (0.44) NFE2L2FGF23TSHRNR1H3RELA
SCHEMBL29392092 0.91 NR1H3 (0.44) NFE2L2FGF23TSHRNR1H3RELA
SCHEMBL553823 0.91 NR1H3 (0.44) NFE2L2FGF23TSHRNR1H3RELA
SCHEMBL14319644 0.88 TSHR (0.52) NFE2L2FGF23TSHRNR1H3RELA
SCHEMBL11486051 0.87 NFE2L2 (0.48) NFE2L2NR1H3RELAHPGDALDH1A1
SCHEMBL11486049 0.87 NFE2L2 (0.48) NFE2L2NR1H3RELAHPGDALDH1A1
SCHEMBL11484561 0.85 NR1H3 (0.41) NFE2L2FGF23TSHRNR1H3RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449174-B2 Aryl isonitrile compounds as a new class of potent, broad-spectrum antifungal compounds PURDUE RESEARCH FOUNDATION (US) 2019-10-22 US disclosed
US-20170181997-A1 ARYL ISONITRILE COMPOUNDS AS A NEW CLASS OF POTENT, BROAD-SPECTRUM ANTIFUNGAL COMPOUNDS PURDUE RESEARCH FOUNDATION (US) 2017-06-29 US disclosed
US-5152922-A 1,4-DISTYRYLBENZENE COMPOUNDS AND MIXTURES THEREOF WITH OTHER 1,4-DISTYRYBENZENE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0252009-B1 1,4-DISTYRYL BENZENE COMPOUNDS AND THEIR MIXTURES WITH OTHER 1,4-DISTYRYL BENZENE COMPOUNDS CIBA-GEIGY AG (CH) 1990-08-01 EP disclosed
EP-0150441-B1 1,4-BIS-(STYRYL)-BENZENES AND THEIR USE AS OPTICAL BRIGHTENER BAYER AG (DE) 1987-03-18 EP disclosed
EP-0150441-A1 1,4-Bis-(styryl)-benzenes and their use as optical brightener BAYER AG (DE) 1985-08-07 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 (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-10449174-B2 Aryl isonitrile compounds as a new class of potent, broad-spectrum antifungal compounds AHR, CYP3A4, NAT1 NFE2L2 3592/4885FGF23 1546/4885TSHR 3640/4885
US-20170181997-A1 ARYL ISONITRILE COMPOUNDS AS A NEW CLASS OF POTENT, BROAD-SPECTRUM ANTIFUNGAL COMPOUNDS AHR, CYP3A4, NAT1 NFE2L2 3592/4885FGF23 1546/4885TSHR 3640/4885

“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.