Sugi Predict

Sugi Predict / Compounds / SCHEMBL81124

SCHEMBL81124

SCHEMBL81124

O=CN(F)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA2 P00918 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ ADH1B P00325 1/20 0.40
▸ ADH1C P00326 1/20 0.40
▸ ADH1A P07327 1/20 0.40
▸ ADH7 P40394 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ G6PC1 P35575 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL3240874 0.78 TAAR1 (0.48) ALDH1A1TDP1AOC3NPC1RAB9A
SCHEMBL3237296 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CA2AOC3
SCHEMBL5635827 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CA2AOC3
SCHEMBL26802 0.76 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2AOC3
SCHEMBL28570283 0.76 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CA2AOC3
Hydrochloric Acid SCHEMBL12006735 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CA2AOC3
SCHEMBL11413632 0.74 CNR2 (0.48) ALDH1A1TSHRCA2AOC3ADH1B
SCHEMBL28028840 0.74 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CA2AOC3
SCHEMBL967209 0.73 TSHR (0.56) ALDH1A1TSHRAOC3NPC1RAB9A
SCHEMBL7405546 0.73 NPC1 (0.48) ALDH1A1TSHRTDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US claimed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 — — EP claimed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 — — EP claimed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US claimed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 — — EP claimed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 — — US claimed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 — — EP claimed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 — — WO claimed
CN-115043750-B Method for preparing formamide by low pressure 中国科学院山西煤炭化学研究所 2023-12-26 — — CN disclosed
US-20200129458-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS AJINOMOTO CO., INC. (JP) 2020-04-30 — — US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 — — EP disclosed
US-7902179-B2 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2011-03-08 — — US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 — — EP disclosed
US-20040147546-A1 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2004-07-29 — — US disclosed
EP-1396493-A1 HETEROCYCLIC COMPOUNDS Ajinomoto Co., Inc. (JP) 2004-03-10 — — EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 — — US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 — — US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 — — EP disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 — — 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 (4 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-20200129458-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS GLP1R, GPR119, GIPR ALDH1A1 2152/4885TSHR 184/4885TDP1 4094/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG ALDH1A1 4097/4885TSHR 488/4885TDP1 1596/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ALDH1A1 874/4885TSHR 2306/4885TDP1 2743/4885
US-20040147546-A1 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease TNF, LITAF, NOD2 ALDH1A1 1819/4885TSHR 3480/4885TDP1 3984/4885

“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.