SCHEMBL27251882

SCHEMBL27251882

Cc1ccc(-c2ccc3cc(-c4ccc(N=O)cc4)ccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.41
▸ CYP2A6 P11509 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CTRC Q99895 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA2 P00918 2/20 0.36

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
SCHEMBL27251881 0.96 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1KMT2ATSHR
SCHEMBL27251963 0.89 ESR1 (0.44) CYP1A2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL27251883 0.89 ALDH1A1 (0.37) CYP1A2CYP2A6ALDH1A1KMT2ATSHR
SCHEMBL13547631 0.87 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRHSD17B10CYP3A4
SCHEMBL27251961 0.85 ESR1 (0.41) CYP1A2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL27251886 0.85 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRHSD17B10CYP3A4
SCHEMBL27251885 0.85 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRHSD17B10CYP3A4
SCHEMBL11244353 0.80 ALDH1A1 (0.52) CYP2A6ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL941642 0.80 — —
SCHEMBL19287326 0.78 CYP1A2 (0.68) CYP1A2CYP2A6ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024480-B2 Polynitroso compound, its preparation and electrochemical use CITY UNIVERSITY OF HONG KONG (HK) 2024-07-02 — — 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-12024480-B2 Polynitroso compound, its preparation and electrochemical use PNPO, NOXO1, MT-ND6 CYP1A2 1383/4885CYP2A6 986/4885ALDH1A1 1278/4885

“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.

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