Sugi Predict

Sugi Predict / Compounds / SCHEMBL1178052

SCHEMBL1178052

SCHEMBL1178052

COc1c(Cl)ccnc1CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ ADRA1A P35348 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ LOX P28300 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL30557385 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10MAOARAB9A
Hydrochloric Acid SCHEMBL3180076 0.98 MAOA (0.36) ALDH1A1KDM4EHSD17B10MAOARAB9A
Hydrochloric Acid SCHEMBL3186456 0.86 — —
SCHEMBL3170691 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL8710507 0.85 TAS1R3 (0.36) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL25384445 0.83 LOX (0.41) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL7104913 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL8840465 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL29682049 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10MAOARAB9A
Hydrochloric Acid SCHEMBL5268510 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693555-A Imidazopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-09-05 — — CN disclosed
WO-2023160475-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海赛默罗生物科技有限公司 2023-08-31 — — WO disclosed
CN-102026974-B Tetrahydrocyclopenta[b]indole androgen receptor modulators LILLY CO ELI 2013-08-28 — — CN disclosed
US-8486943-B2 Tetrahydrocyclopenta[b]indole androgen receptor modulators ELI LILLY AND COMPANY (US) 2013-07-16 — — US disclosed
CN-101268050-B Isotopically substituted pantoprazole NYCOMED GMBH 2012-11-28 — — CN disclosed
CN-102134232-B isotopically substituted proton pump inhibitors NYCOMED GMBH 2012-11-21 — — CN disclosed
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 — — EP disclosed
CN-101268051-B Isotopically substituted proton pump inhibitors NYCOMED GMBH 2011-08-31 — — CN disclosed
CN-102134232-A Isotopically substituted proton pump inhibitors ALTANA PHARMA AG 2011-07-27 — — CN disclosed
CN-102026974-A Tetrahydrocyclopenta[b]indole androgen receptor modulators LILLY CO ELI 2011-04-20 — — CN disclosed
CN-101268050-A Isotopically substituted pantoprazole NYCOMED GMBH (DE) 2008-09-17 — — CN disclosed
EP-1518857-B1 A process for the preparation of pantoprazole and salts thereof DIPHARMA FRANCIS SRL (IT) 2007-08-08 — — EP disclosed
US-7081534-B2 Process for the preparation of pantoprazole and salts thereof DIPHARMA S.P.A. (IT) 2006-07-25 — — US disclosed
CN-1243749-C Benzimidazole derivatives ZERIA PHARM CO LTD (JP) 2006-03-01 — — CN disclosed
US-20050096352-A1 Process for the preparation of pantoprazole and salts thereof DIPHARMA S.P.A. (IT) 2005-05-05 — — US disclosed
US-6884810-B2 Benzimidazole derivatives ZERIA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 — — US disclosed
EP-1518857-A1 A process for the preparation of pantoprazole and salts thereof Dipharma S.p.A. (IT) 2005-03-30 — — EP disclosed
CN-1511153-A Benzimidazole derivatives ������ҩ��ҵ��ʽ���� 2004-07-07 — — CN disclosed
EP-1428825-A1 BENZIMIDAZOLE DERIVATIVES Zeria Pharmaceutical Co., Ltd. (JP) 2004-06-16 — — EP disclosed
US-20030236411-A1 Benzimidazole derivatives ZERIA PHARMACEUTICAL CO., LTD. (JP) 2003-12-25 — — 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 (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-20050096352-A1 Process for the preparation of pantoprazole and salts thereof PPOX, MLN, PNPO ALDH1A1 613/4885KDM4E 1702/4885HSD17B10 2102/4885
US-20030236411-A1 Benzimidazole derivatives CYP2E1, CYP1A1, CYP1B1 ALDH1A1 43/4885KDM4E 2010/4885HSD17B10 138/4885

“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.