SCHEMBL18029322

SCHEMBL18029322

Cn1cc(CC(N)C(=O)O)c2cc(-c3ccncc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 4/20 0.53
▸ NR1D1 P20393 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ ICMT O60725 5/20 0.40
▸ AKT1 P31749 2/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ SCN9A Q15858 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
SCHEMBL19871248 0.91 ALDH1A1 (0.46) NR4A2NR1D1ALDH1A1MAPTRECQL
SCHEMBL18029037 0.89 NR4A2 (0.52) NR4A2ALDH1A1MAPTRECQLCNR1
SCHEMBL20120110 0.82 AURKA (0.42) NR4A2NR1D1ALDH1A1MAPTRECQL
SCHEMBL13272405 0.80 ALDH1A1 (0.53) ALDH1A1MAPTRECQL
SCHEMBL14051388 0.80 ALDH1A1 (0.53) ALDH1A1MAPTRECQL
SCHEMBL18029014 0.80 MAPT (0.49) ALDH1A1MAPTRECQLICMT
SCHEMBL18029139 0.80 MAPT (0.49) ALDH1A1MAPTRECQL
SCHEMBL19871245 0.80 ALDH1A1 (0.53) ALDH1A1MAPTRECQL
SCHEMBL19871246 0.80 MAPT (0.55) NR4A2ALDH1A1MAPTRECQLCNR1
SCHEMBL20935033 0.80 NR4A2 (0.56) NR4A2NR1D1ALDH1A1MAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 — — US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 — — US disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 — — US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 — — WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 — — WO 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 NR4A2 2320/4885NR1D1 945/4885ALDH1A1 449/4885

“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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