Sugi Predict

Sugi Predict / Compounds / SCHEMBL113076

SCHEMBL113076

SCHEMBL113076

NCc1c(F)cccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.73
▸ GAA P10253 1/20 0.57
▸ BACE1 P56817 1/20 0.53
▸ HTT P42858 2/20 0.49
▸ DPP4 P27487 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2A13 Q16696 1/20 0.47
▸ PNMT P11086 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ PKM P14618 1/20 0.44

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
Hydrochloric Acid SCHEMBL11150443 0.98 TAAR1 (0.70) TAAR1GAABACE1HTTDPP4
SCHEMBL1197584 0.84 TAAR1 (1.00) TAAR1GAABACE1HTTKDM4E
SCHEMBL13084 0.83 TAAR1 (0.54) TAAR1GAABACE1DPP4KDM4E
SCHEMBL110460 0.83 TAAR1 (0.64) TAAR1GAADPP4PNMTKMT2A
Hydrochloric Acid SCHEMBL3466920 0.83 TAAR1 (0.96) TAAR1GAABACE1HTTKDM4E
SCHEMBL2222708 0.81 TAAR1 (0.78) TAAR1GAABACE1HTTKDM4E
Hydrochloric Acid SCHEMBL5472476 0.80 TAAR1 (0.52) TAAR1GAABACE1HTTKDM4E
Iodide SCHEMBL28981861 0.80 TAAR1 (0.52) TAAR1GAABACE1DPP4KDM4E
Hydrochloric Acid SCHEMBL7895201 0.80 TAAR1 (0.61) TAAR1HTTDPP4PNMTNPSR1
SCHEMBL3455236 0.80 TAAR1 (0.77) TAAR1GAABACE1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 — — CN claimed
CN-120058675-A Preparation and purification method and application of quinoline derivative with biological activity 河南科技大学 2025-05-30 — — CN disclosed
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2024-09-12 — — US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 — — US disclosed
WO-2024091659-A1 MODIFIED CYCLODEXTRINS AND OPHTHALMIC USES THEREOF ALDEYRA THERAPEUTICS, INC. (US) 2024-05-02 — — WO disclosed
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-30 — — US disclosed
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 — — CN disclosed
EP-4352049-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Avelos Therapeutics Inc. (KR) 2024-04-17 — — EP disclosed
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 — — CN disclosed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 — — CN disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 — — WO disclosed
US-5294631-A Substituted benzimidazoles useful as angiotension II receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-03-15 — — US disclosed
EP-0525129-A4 SUBSTITUTED BENZIMIDAZOLES — 1993-03-24 — — EP disclosed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 — — EP disclosed
WO-1991016313-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1991-10-31 — — WO disclosed
US-4423219-A 6-/2-CHLORO-6-FLUOROBENZYL/AMINO-4-METHYLAMINO-5 -PHENYLAZOPYRIMIDINE, ANTIPROTOZOA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-12-27 — — US disclosed
US-RE31429-E ANTICOCCIDIAL AGENTS, RANEY NICKEL DESULFURIZATION MERCK & CO., INC. (US) 1983-10-25 — — US disclosed
EP-0052959-A1 Production of purine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-02 — — EP disclosed
US-4127721-A Derivatives of thiadiazolo[3,4-d]pyrimidine MERCK & CO., INC. (US) 1978-11-28 — — US disclosed
US-4098787-A Process for preparation of 9-(dihalobenzyl) adenines MERCK & CO., INC. (US) 1978-07-04 — — 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 TAAR1 319/4885GAA 4846/4885BACE1 4342/4885
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS MAST1, MAST3, MAST4 TAAR1 4029/4885GAA 962/4885BACE1 1972/4885
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 TAAR1 2436/4885GAA 1226/4885BACE1 3155/4885

“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.