SCHEMBL10396398

SCHEMBL10396398

O=C(O)c1ccc2noc(-c3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 19/20 1.00
IP6K3 Q96PC2 17/20 1.00
IP6K2 Q9UHH9 17/20 1.00
ALDH1A1 P00352 2/20 1.00
TP53 P04637 1/20 1.00
HSD17B10 Q99714 1/20 1.00
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
KDM4E B2RXH2 1/20 0.78
NPC1 O15118 1/20 0.76
POLB P06746 1/20 0.76
RAB9A P51151 1/20 0.76

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
SCHEMBL25989723 0.97 IP6K1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL25990975 0.91 IP6K1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL4027834 0.88 ALDH1A1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL14434145 0.88 IP6K1 (0.78) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL25353811 0.88 IP6K1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL25990576 0.88 IP6K1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL10395947 0.88 IP6K1 (0.78) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL31265140 0.86 IP6K1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL25352847 0.86 IP6K1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53
SCHEMBL25990966 0.86 IP6K1 (1.00) IP6K1IP6K3IP6K2ALDH1A1TP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
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-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
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
US-4898874-A Acetic acid derivatives of 3-aryl-2,1-benzisoxazole and esters and amides thereof A. H. ROBINS COMPANY, INC. (US) 1990-02-06 US disclosed
EP-0260924-A1 Antiinflammatory derivatives of 3-aryl-2,1-benzisoxazole A.H. ROBINS COMPANY, INCORPORATED (US) 1988-03-23 EP 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 IP6K1 3520/4885IP6K3 3579/4885IP6K2 3456/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 IP6K1 3069/4885IP6K3 2790/4885IP6K2 2871/4885

“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.