Sugi Predict

Sugi Predict / Compounds / SCHEMBL1444575

SCHEMBL1444575

SCHEMBL1444575

CON=CCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TRPA1 O75762 2/20 0.43
▸ IDO1 P14902 5/20 0.42
▸ AGXT P21549 2/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ LMNA P02545 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
SCHEMBL6076750 1.00 KDM4E (0.49) KDM4ETRPA1IDO1AGXTLOXL2
SCHEMBL6449435 0.81 KDM4E (0.46) KDM4EIDO1AGXTTAAR1MAOB
SCHEMBL6449443 0.81 KDM4E (0.46) KDM4EIDO1AGXTTAAR1MAOB
SCHEMBL15540864 0.80 TDP1 (0.39) IDO1LOXL2MAOBALDH1A1TP53
SCHEMBL5341514 0.80 IDO1 (0.42) KDM4EIDO1TAAR1MAOBALDH1A1
SCHEMBL15540331 0.80 TDP1 (0.39) IDO1LOXL2MAOBALDH1A1TP53
SCHEMBL16587900 0.80 IDO1 (0.43) IDO1TAAR1ALDH1A1MIFLMNA
SCHEMBL15539899 0.80 TDP1 (0.39) IDO1LOXL2MAOBALDH1A1TP53
SCHEMBL9278957 0.79 MAOB (0.46) KDM4EIDO1AGXTMAOBALDH1A1
SCHEMBL7966000 0.79 MAOB (0.46) KDM4EIDO1AGXTMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011033251-A1 HERBICIDAL ISOXAZOLINE DERIVATIVES SYNGENTA LIMITED (GB) 2011-03-24 — — WO disclosed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 — — US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 — — WO disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 — — EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 — — US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 — — US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 — — WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 — — US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 — — 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 (2 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF KDM4E 702/4885TRPA1 4866/4885IDO1 510/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 KDM4E 1398/4885TRPA1 4798/4885IDO1 350/4885

“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.