SCHEMBL19872691

SCHEMBL19872691

CC(Cc1c[nH]c2cc(F)cc([N+](=O)[O-])c12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTPRA P18433 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ NQO2 P16083 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34

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
SCHEMBL19872755 0.87 KDM4E (0.46) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL18000267 0.86 PTPRA (0.55) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL19872705 0.86 KDM4E (0.45) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL18000164 0.86 PTPRA (0.55) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL18029200 0.86 PTPRA (0.55) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL21392083 0.83 MAPT (0.43) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL18509424 0.79 GPR17 (0.50) CYP2C19NQO2MTNR1AMTNR1BHTR1A
SCHEMBL18029335 0.74 PTPRA (0.55) KDM4EMAPTPTPRACYP2C19HTR1A
SCHEMBL18000105 0.74 PTPRA (0.55) KDM4EMAPTPTPRACYP2C19HTR1A
SCHEMBL18000103 0.74 PTPRA (0.55) KDM4EMAPTPTPRACYP2C19HTR1A

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-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 — — 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-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 KDM4E 3127/4885APAF1 1399/4885POLB 2407/4885

“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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