SCHEMBL42617

SCHEMBL42617

O=C(O)c1nc2ccccc2nc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
MAPT P10636 2/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
PIM1 P11309 3/20 0.53
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DYRK1A Q13627 4/20 0.45
MGAM O43451 1/20 0.44
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
DYRK1B Q9Y463 3/20 0.41
CLK1 P49759 2/20 0.41
CDK9 P50750 2/20 0.41
DYRK2 Q92630 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41

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
SCHEMBL29860539 0.86 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL351486 0.86 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL28384025 0.84 ALDH1A1 (0.95) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
Bicarbonate SCHEMBL11185192 0.81 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL47270 0.81 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL43146 0.81 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL6991670 0.81 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL9688082 0.79 ACHE (0.59) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL7968125 0.79 ACHE (0.59) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E
SCHEMBL3696226 0.77 PIM1 (0.56) ALDH1A1MAPTSMN1; SMN2PIM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
EP-3858356-A2 SYSTEMS, METHODS, AND COMPOSITIONS FOR CROSS-LINKING Avedro, Inc. (US) 2021-08-04 EP claimed
US-10620207-B2 Method of identifying treatment responsive non-small cell lung cancer using anaplastic lymphoma kinase (ALK) as a marker VENTANA MEDICAL SYSTEMS, INC. (US) 2020-04-14 US claimed
US-10145852-B2 Multiples multiplex immunohistochemical assay using primary antibodies of the same host species VENTANA MEDICAL SYSTEMS, INC. (US) 2018-12-04 US claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20180106816-A1 MULTIPLES MULTIPLEX IMMUNOHISTOCHEMICAL ASSAY USING PRIMARY ANTIBODIES OF THE SAME HOST SPECIES VENTANA MEDICAL SYSTEMS, INC. 2018-04-19 US claimed
CN-104603620-B The method of identification treatment response non-small cell lung cancer using anaplastic lymphoma kinase (ALK) as mark 文塔纳医疗系统公司 2018-02-23 CN claimed
US-9874571-B2 Multiplex immunohistochemical assay using primary antibodies of the same host species VENTANA MEDICAL SYSTEMS, INC. (US) 2018-01-23 US claimed
US-20170234886-A1 MULTIPLES IMMUNOHISTOCHEMICAL ASSAY USING PRIMARY ANTIBODIES OF THE SAME HOST SPECIES VENTANA MEDICAL SYSTEMS, INC. 2017-08-17 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-20070243519-A1 Protecting group for carboxylic acids that can be photolyzed by visible light CORNELL RESEARCH FOUNDATION, INC. (US) 2007-10-18 US claimed
US-6248161-B1 Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts HEWLETT-PACKARD COMPANY 2001-06-19 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
US-5854008-A Europium and terbium chelators for the time-resolved fluorometric assays NORDION INTERNATIONAL, INC. (CA) 1998-12-29 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US claimed
US-5430175-A Caged carboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1995-07-04 US claimed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (US) 1995-06-08 WO claimed

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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS ALDH1A1 3087/4885MAPT 2153/4885SMN1; SMN2 4271/4885
US-20070243519-A1 Protecting group for carboxylic acids that can be photolyzed by visible light CYBA, ALDH3A1, HCCS ALDH1A1 37/4885MAPT 2645/4885SMN1; SMN2 4864/4885

“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.