SCHEMBL4934034

SCHEMBL4934034

O=Cc1ccc2noc(-c3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
KDM4E B2RXH2 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
POLB P06746 3/20 1.00
NPC1 O15118 2/20 1.00
IP6K1 Q92551 14/20 0.94
SMN1; SMN2 Q16637 3/20 0.74
MAPT P10636 2/20 0.74
HPGD P15428 2/20 0.74
RAB9A P51151 1/20 0.74
PTK2B Q14289 1/20 0.74
IP6K2 Q9UHH9 12/20 0.68
IP6K3 Q96PC2 11/20 0.68
HTT P42858 2/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GAA P10253 1/20 0.53
TBK1 Q9UHD2 1/20 0.53

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
SCHEMBL30967420 0.97 IP6K1 (1.00) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL25353212 0.89 IP6K1 (0.80) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL25990065 0.85 ALDH1A1 (0.74) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL6199027 0.85 KDM4E (1.00) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL25352733 0.84 KDM4E (0.73) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL6012040 0.84 ALDH1A1 (0.73) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL31265142 0.84 KDM4E (0.73) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL25989995 0.81 IP6K1 (1.00) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL25990902 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL30967410 0.79 IP6K1 (1.00) ALDH1A1KDM4EMEN1KMT2APOLB

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-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-05-15 US disclosed
CN-118515623-B Substituted benzisoxazole compound and application thereof in preparation of antitumor drugs 河北中医药大学 2025-04-25 CN disclosed
CN-119137106-A Arylbenzisoxazole compounds as IP6K and IPMK inhibitors and methods of use thereof 北卡罗来纳查佩尔山大学 2024-12-13 CN disclosed
EP-4472954-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF The University of North Carolina at Chapel Hill (US) 2024-12-11 EP disclosed
CN-118515623-A Substituted benzisoxazole compound and application thereof in preparation of antitumor drugs 河北中医药大学 2024-08-20 CN disclosed
WO-2023154466-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-08-17 WO disclosed
WO-2023154466-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-08-17 WO disclosed
US-9763956-B2 Diagnostic and treatment methods in subjects having or at risk of developing resistance to cancer therapy THE BROAD INSTITUTE, INC. (US) 2017-09-19 US disclosed
US-9763956-B2 Diagnostic and treatment methods in subjects having or at risk of developing resistance to cancer therapy THE BROAD INSTITUTE, INC. (US) 2017-09-19 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-9320741-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-04-26 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20150150885-A1 Compositions and Methods for Treating Neoplasia, Inflammatory Disease and Other Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-20150150885-A1 Compositions and Methods for Treating Neoplasia, Inflammatory Disease and Other Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-8981083-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA FARBER CANCER INSTITUTE, INC. (US) 2015-03-17 US disclosed
US-8981083-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA FARBER CANCER INSTITUTE, INC. (US) 2015-03-17 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 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 (5 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 ALDH1A1 1429/4885KDM4E 2474/4885MEN1 3533/4885
US-20150150885-A1 Compositions and Methods for Treating Neoplasia, Inflammatory Disease and Other Disorders BRPF3, EP300, BRD3 ALDH1A1 3670/4885KDM4E 317/4885MEN1 1913/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 ALDH1A1 963/4885KDM4E 1673/4885MEN1 606/4885
US-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF PFKL, IP6K2, IP6K1 ALDH1A1 851/4885KDM4E 1223/4885MEN1 4434/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 ALDH1A1 2824/4885KDM4E 1647/4885MEN1 2473/4885

“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.