SCHEMBL2540602

SCHEMBL2540602

CC(=O)OCCc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
GFER P55789 1/20 0.48
MET P08581 2/20 0.48
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5691933 0.85 LOXL2 (0.47) NPC1RAB9AMETCYP3A4TSHR
SCHEMBL2387794 0.82 NPC1 (0.57) NPC1RAB9AMETALDH1A1SMN1; SMN2
SCHEMBL86139 0.82 ALDH1A1 (0.47) NPC1RAB9AMETCYP3A4TSHR
SCHEMBL3235233 0.82 NPC1 (0.57) NPC1RAB9AGFERMETCYP3A4
SCHEMBL8652676 0.82 LMNA (0.45) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL4242570 0.82 ALDH1A1 (0.62) NPC1RAB9AMETCYP3A4TSHR
SCHEMBL27578680 0.82 NPC1 (0.50) NPC1RAB9AGFERMETCYP3A4
SCHEMBL10053298 0.81 L3MBTL1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL1067152 0.81 SIRT2 (0.47) TSHRALDH1A1SMN1; SMN2L3MBTL1MAOA
SCHEMBL86418 0.81 KMT2A (0.55) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383893-A1 Hydroxamic Acid Compound Having ENPP1 Inhibitory Activity and Use Thereof HAIHE BIOPHARMA CO., LTD. (CN) 2024-11-21 US disclosed
EP-4400493-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2024-07-17 EP disclosed
US-20230049294-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-02-16 US disclosed
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
CN-112334319-A Thermosensitive recording material 王子控股株式会社 2021-02-05 CN disclosed
WO-2017008708-A1 METHOD FOR PREPARING INDAZOLE COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2017-01-19 WO disclosed
US-9249308-B2 Compound having bisazo dye skeleton, pigment composition containing the same, pigment dispersion, ink, and color filter resist composition CANON KABUSHIKI KAISHA (JP) 2016-02-02 US disclosed
US-20140326931-A1 NOVEL COMPOUND HAVING BISAZO DYE SKELETON, PIGMENT COMPOSITION CONTAINING THE SAME, PIGMENT DISPERSION, INK, AND COLOR FILTER RESIST COMPOSITION CANON KABUSHIKI KAISHA (JP) 2014-11-06 US disclosed
CN-101903375-B Carboxyl- or hydroxyl-substituted benzimidazole derivatives HOFFMANN LA ROCHE 2014-05-21 CN disclosed
CN-103814016-A Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity MERCK PATENT GMBH 2014-05-21 CN disclosed
CN-101583597-A Sulfonamide derivatives as liver carnitine palmitoyl transferase (L-CPT1) HOFFMANN LA ROCHE (CH) 2009-11-18 CN disclosed
EP-1887008-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-02-13 EP disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7208598-B2 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA (FR) 2007-04-24 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
US-7122669-B1 Purine derivatives, preparation method and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2006-10-17 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2005-08-25 US disclosed
US-4000274-A PHARMACEUTICAL COMPOSITIONS CONTAINING AN N-ARYL-N'-(PHENYL-OR-PHENOXY-ALKYL)-PIPERAZINE AND METHOD OF USE BOEHRINGER INGELHEIM GMBH (DT) 1976-12-28 US disclosed
US-3941789-A CNS DEPRESSANT, ADRENOLYTIC, ANTIPHLOGISTIC, ANALGESIC, ANTIHISTAMINE, ANTICHOLESTEROL BOEHRINGER INGELHEIM GMBH (DT) 1976-03-02 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 (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-20240383893-A1 Hydroxamic Acid Compound Having ENPP1 Inhibitory Activity and Use Thereof ENPP1, ENPP2, ENPP3 NPC1 868/4885RAB9A 962/4885GFER 4613/4885
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them CDK6, CDK1, CDK2 NPC1 3546/4885RAB9A 2279/4885GFER 4342/4885
US-20230049294-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES NUDT1, PNP, ITPA NPC1 995/4885RAB9A 1269/4885GFER 3900/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 NPC1 1085/4885RAB9A 1813/4885GFER 3007/4885

“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.