SCHEMBL18509541

SCHEMBL18509541

O=C(O)CCc1c[nH]c2cc(-c3ccncc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.52
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CDK2 P24941 1/20 0.48
S1PR1 P21453 1/20 0.47
HAT1 O14929 3/20 0.45
EP300 Q09472 3/20 0.45
GPR17 Q13304 3/20 0.44
GSK3B P49841 1/20 0.44
SCN9A Q15858 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL23226253 0.90 HPGD (0.61) IMPDH2HPGDCYP2C19CDK4CCND1
SCHEMBL20120174 0.88 GPR17 (0.56) IMPDH2HPGDCYP2C19CDK4CCND1
SCHEMBL31370752 0.82 KMT2A (0.55) HPGDCYP2C19CDK4CCND1S1PR1
SCHEMBL24144265 0.81 HTR2A (0.57) IMPDH2
SCHEMBL26700560 0.80 IMPDH2 (0.60) IMPDH2CDK4CCND1CDK2GSK3B
SCHEMBL19871239 0.79 SCN9A (0.59) IMPDH2CYP2C19CDK4CCND1CDK2
SCHEMBL18029108 0.79 SCN9A (0.59) IMPDH2CYP2C19CDK4CCND1CDK2
SCHEMBL15323483 0.77 HTR2C (0.65) HPGDCYP2C19GPR17
SCHEMBL21392213 0.77 HPGD (0.66) HPGDCYP2C19CDK4CCND1SCN9A
SCHEMBL16540415 0.76 GPR84 (0.61) HPGDCYP2C19CDK2S1PR1GPR17

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 6 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-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 US disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 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 IMPDH2 798/4885HPGD 238/4885CYP2C19 61/4885

“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.