SCHEMBL21392130

SCHEMBL21392130

Cc1c(CNC(=O)O)c2cccc(-c3ccccc3)c2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TACR1 P25103 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
FABP4 P15090 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
P2RX7 Q99572 3/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL18509747 0.82 EGFR (0.47) ALDH1A1KDM4EFABP4
SCHEMBL21392196 0.79 PTGDR2 (0.42) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL18509929 0.73 MCL1 (0.47)
SCHEMBL14931060 0.71 HSD17B10 (0.46) ALDH1A1HPGDPDCD1CD274LMNA
SCHEMBL18029299 0.70 MCL1 (0.39) CYP1A2ALDH1A1
SCHEMBL17030415 0.69 ALKBH5 (0.59) CYP2C19ALDH1A1KDM4EHPGDLMNA
SCHEMBL24105882 0.67 ALKBH5 (0.58) CYP1A2ALDH1A1KDM4EPDCD1CD274
SCHEMBL5883325 0.67 KMT2A (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL23226317 0.67 CMA1 (0.43) CHRNB2CHRNA4KDM4EPDCD1CD274
SCHEMBL18015005 0.66 ALKBH5 (0.56) CYP2C19ALDH1A1KDM4EHPGDLMNA

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 CYP1A2 18/4885CYP2D6 151/4885CYP2C9 63/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 CYP1A2 18/4885CYP2D6 151/4885CYP2C9 63/4885

“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.