SCHEMBL26413428

SCHEMBL26413428

O=C(OC1(c2ccccc2)CCNCC1)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CASP6 P55212 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DBH P09172 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
VCAM1 P19320 1/20 0.33
TPMT P51580 1/20 0.33

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
SCHEMBL26413430 0.91 KMT2A (0.39) GPR35MAPK1CASP6GAAKMT2A
SCHEMBL26413414 0.91 CASP6 (0.46) MAPK1CASP6GAAOPRM1KMT2A
SCHEMBL26413553 0.88 TSHR (0.49) GAAOPRM1KMT2A
SCHEMBL24944251 0.88 MAPT (0.37) MAPK1CASP6GAAOPRM1CA12
SCHEMBL26413585 0.86 GAA (0.43) GAAABCB1ABCC1KMT2AATM
SCHEMBL26413557 0.86 CES2 (0.51) MAPK1GAAKMT2A
SCHEMBL26478650 0.86 MAPT (0.46) CASP6GAAOPRM1KMT2AATM
SCHEMBL26413388 0.86 VCAM1 (0.51) MAPK1KMT2AVCAM1
SCHEMBL24944621 0.85 ESR1 (0.44) GAAOPRM1CA12CA1CA2
SCHEMBL26413561 0.84 GAA (0.52) GAAKMT2AATM

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-11644753-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-09 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 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 (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-11644753-B2 Resist composition and patterning process HNRNPU, NSUN2, HNRNPR GPR35 3692/4885MAPK1 1150/4885HSD17B1 4546/4885

“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.