SCHEMBL17465375

SCHEMBL17465375

Cc1cccc2nc(C(C)C)oc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
TP53 P04637 2/20 0.42
ELANE P08246 6/20 0.39
CTRB1 P17538 1/20 0.39
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL21783712 0.81 MTNR1A (0.47) MTNR1AMTNR1BTP53ELANEFAAH
SCHEMBL13058472 0.80 MTNR1A (0.46) MTNR1AMTNR1BTP53
SCHEMBL13058666 0.80 MTNR1A (0.49) MTNR1AMTNR1BTP53MAPTMAOA
SCHEMBL20964603 0.80 PSMB8 (0.51) MTNR1AMTNR1BMAPT
SCHEMBL13058661 0.80 MTNR1A (0.46) MTNR1AMTNR1BTP53ELANEMAPT
SCHEMBL25478515 0.80 MTNR1A (0.46) MTNR1AMTNR1BTP53ELANEMAPT
SCHEMBL13058672 0.77 MTNR1A (0.60) MTNR1AMTNR1BTP53
SCHEMBL13058667 0.77 MTNR1A (0.44) MTNR1AMTNR1BELANEMAPTMAOA
SCHEMBL5542790 0.76 ELANE (0.56) MTNR1AMTNR1BELANEFAAHMAPT
SCHEMBL25488150 0.76 MTNR1A (0.43) MTNR1AMTNR1BELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
EP-3471729-B1 ISOXAZOLMETHYLTHIO-, THIENYLMETHYLTHIO- AND THIAZOMETHYLTHIO-DERIVATIVES FOR USE IN THE TREATMENT OF CANCER; VIRAL INFECTIONS; THROMBOTIC EVENTS OR PLATELET AGGREGATION UNIV RUTGERS (US) 2023-02-22 EP disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 MTNR1A 298/4885MTNR1B 415/4885TP53 976/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR MTNR1A 4801/4885MTNR1B 4678/4885TP53 3614/4885

“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.