Sugi Predict

Sugi Predict / Compounds / SCHEMBL840544

SCHEMBL840544

SCHEMBL840544

CC(C)c1ccc(N)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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 SCHEMBL6981827 0.98 GAA (0.50) ALDH1A1GAAHTTALOX12HIF1A
Pyrimidine SCHEMBL27460639 0.86 ALDH1A1 (0.41) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL7685001 0.83 UGT2B7 (0.44) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL24136815 0.82 CA12 (0.42) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL20101691 0.82 ALDH1A1 (0.57) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL1597580 0.81 CA12 (0.45) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL6033966 0.79 ALDH1A1 (0.54) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL6895537 0.78 LMNA (0.44) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL741007 0.78 ALDH1A1 (0.64) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL29549360 0.78 ALDH1A1 (0.64) ALDH1A1GAAHTTALOX12HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 — — US disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
CN-114989200-B Boron-containing nitrogen compounds and their use in organic electronic devices 广州追光科技有限公司 2024-06-04 — — CN disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 — — CN disclosed
CN-116854697-A Organic small molecule based on diindolylcarbazole structure and application thereof 深圳大学 2023-10-10 — — CN disclosed
CN-110845498-B Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-02-17 — — CN disclosed
WO-2022224223-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2022-10-27 — — WO disclosed
CN-114989200-A Boron-containing nitrogen compounds and their use in organic electronic devices 广州追光科技有限公司 2022-09-02 — — CN disclosed
EP-3988549-A1 MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2022-04-27 — — EP disclosed
WO-1999001439-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 — — WO disclosed
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 — — EP disclosed
WO-1998011075-A1 PYRAZINONES AND TRIAZINONES AND THEIR DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-03-19 — — WO disclosed
WO-1997044038-A1 TETRAHYDROPTERIDINES AND PYRIDYLPIPERAZINES FOR TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1997-11-27 — — WO disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 — — WO disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 — — EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 — — EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 — — US disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 — — WO disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 — — 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-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 ALDH1A1 2800/4885GAA 2673/4885HTT 3001/4885

“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.