Sugi Predict

Sugi Predict / Compounds / SCHEMBL9903971

SCHEMBL9903971

SCHEMBL9903971

COCCn1c(-c2cc(F)cc(F)c2)ncc(C(=O)C2C(=O)C3CCC(C3)C2=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 14/20 0.40
▸ CYP3A4 P08684 11/20 0.40
▸ HSD17B10 Q99714 10/20 0.40
▸ ALDH1A1 P00352 9/20 0.39
▸ CYP2C9 P11712 7/20 0.39
▸ HPGD P15428 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CASP1 P29466 10/20 0.38
▸ CASP7 P55210 10/20 0.38
▸ USP2 O75604 6/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ GLA P06280 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2B Q13224 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
SCHEMBL454637 0.83 CYP1A2 (0.40) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL9895127 0.81 CYP1A2 (0.47) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL9895612 0.78 HSD17B10 (0.45) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL14715247 0.72 CYP1A2 (0.46) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL14715253 0.72 CYP1A2 (0.40) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL457397 0.69 ALDH1A1 (0.39) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL456547 0.69 KDM4E (0.39) HSD17B10ALDH1A1HPGDCASP1MAPT
SCHEMBL463041 0.67 TNKS (0.33) GRIN1GRIN2B
SCHEMBL13736743 0.66 CYP1A2 (0.49) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL13733869 0.65 CYP1A2 (0.48) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630928-B2 Intermediates to prepare herbicidal pyrimidone derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-25 — — US disclosed
EP-2475654-B1 HERBICIDAL PYRIMIDONE DERIVATIVES DU PONT (US) 2016-12-28 — — EP disclosed
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2016-01-28 — — US disclosed
US-9187432-B2 Intermediates to prepare herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-17 — — US disclosed
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2015-04-16 — — US disclosed
US-8952024-B2 Herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-10 — — US disclosed
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES FMC CORPORATION 2012-06-14 — — 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 (3 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-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES CBR3, CYP1B1, CBR1 CYP1A2 10/4885CYP3A4 80/4885HSD17B10 629/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 CYP1A2 21/4885CYP3A4 104/4885HSD17B10 1461/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO CYP1A2 15/4885CYP3A4 91/4885HSD17B10 1358/4885

“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.