SCHEMBL18509750

SCHEMBL18509750

Cc1c(CC(N)C(=O)O)c2cc(-c3ccncc3)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
TACR1 P25103 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
AAK1 Q2M2I8 2/20 0.38
NR1D1 P20393 1/20 0.38
PLA2G2A P14555 1/20 0.37
METAP2 P50579 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK4 Q16099 1/20 0.36
GRIK5 Q16478 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
ROCK2 O75116 2/20 0.35

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
SCHEMBL18029314 0.91 HDAC8 (0.42) NR4A2HDAC8AAK1METAP2RXRA
SCHEMBL18029124 0.90 PLA2G2A (0.46) NR4A2PLA2G2ARXRARXRB
SCHEMBL18029284 0.82 MEN1 (0.41) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL18029166 0.81 PLA2G2A (0.44) PLA2G2AGRIK1GRIK2GRIK3GRIK4
SCHEMBL18029120 0.81 SPR (0.50) PLA2G2AMTORCYP1A2
SCHEMBL19871276 0.80 RXRA (0.48) PLA2G2ARXRARXRBLIMK1
SCHEMBL18509752 0.80 TACR1 (0.46) NR4A2TACR1HDAC8PIK3CDPIK3CA
SCHEMBL19872648 0.80 NR4A2 (0.46) NR4A2TACR1HDAC8PLA2G2APIK3CD
SCHEMBL18029318 0.80 KMO (0.41) TACR1CYP1A2
SCHEMBL19871271 0.80 PLA2G2A (0.42) PLA2G2A

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 4 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

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 2320/4885TACR1 1051/4885HDAC8 4034/4885

“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.