Sugi Predict

Sugi Predict / Compounds / SCHEMBL1044508

SCHEMBL1044508

SCHEMBL1044508

CC(=O)Nc1ccc[c]c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ POLB P06746 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAOA P21397 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL5487336 0.81 CYP1A2 (0.46) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL5472699 0.81 TSHR (0.46) ALDH1A1HTTTSHRHDAC1
SCHEMBL692795 0.79 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL5250996 0.79 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL76190 0.79 ALDH1A1 (0.55) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL28776030 0.78 ALDH1A1 (0.48) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL5475470 0.78 ALDH1A1 (0.48) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL18605478 0.75 TSHR (0.46) ALDH1A1HPGDPOLBCYP2C19MAPK1
SCHEMBL9785234 0.75 SMN1; SMN2 (0.55) ALDH1A1HPGDPOLBCYP2C19SMN1; SMN2
SCHEMBL11691151 0.75 ALDH1A1 (0.39) ALDH1A1HPGDPOLBCYP2C19MAPK1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US claimed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US claimed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 — — US disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 — — US disclosed
CN-111183142-B Boric acid derivatives 默克专利股份公司 2023-06-16 — — CN disclosed
EP-3672977-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-22 — — EP disclosed
US-20220153761-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2022-05-19 — — US disclosed
US-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 — — US disclosed
EP-3201208-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-24 — — EP disclosed
EP-3201207-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-02-24 — — EP disclosed
CN-107074885-B Boronic acid derivatives 默克专利股份公司 2020-11-27 — — CN disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 — — US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 — — EP disclosed
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-09-28 — — US disclosed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 — — US disclosed
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors SHIONOGI & CO., LTD. (JP) 2005-10-27 — — US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 — — EP 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 (9 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-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor NQO2, ACE, CDK20 ALDH1A1 784/4885HPGD 617/4885POLB 42/4885
US-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 ALDH1A1 3575/4885HPGD 4466/4885POLB 662/4885
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K20 ALDH1A1 2411/4885HPGD 1001/4885POLB 848/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT ALDH1A1 717/4885HPGD 1284/4885POLB 52/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 ALDH1A1 703/4885HPGD 1628/4885POLB 41/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 ALDH1A1 3525/4885HPGD 4432/4885POLB 654/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP ALDH1A1 571/4885HPGD 1449/4885POLB 26/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 ALDH1A1 3575/4885HPGD 4466/4885POLB 662/4885
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD ALDH1A1 620/4885HPGD 976/4885POLB 1509/4885

“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.