SCHEMBL3226780

SCHEMBL3226780

Cc1ccc2nn(-c3ccccc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.63
HPGD P15428 6/20 0.63
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
ALDH1A1 P00352 10/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
MAPT P10636 4/20 0.62
STAT1 P42224 1/20 0.62
SMN1; SMN2 Q16637 8/20 0.59
GAA P10253 3/20 0.59
TP53 P04637 3/20 0.59
HSD17B10 Q99714 3/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 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
SCHEMBL3221922 0.88 NPC1 (0.73) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL17155529 0.82 RAB9A (0.53) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL28756192 0.81 NPC1 (0.65) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL10759780 0.81 NPC1 (0.81) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL27647698 0.81 PKM (0.54) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL11542701 0.79 KDM4E (0.67) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL9704263 0.79 RAB9A (0.57) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL12535986 0.79 HTT (0.67) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL459011 0.79 KDM4E (1.00) KDM4EHPGDNPC1RAB9AALDH1A1
SCHEMBL16355305 0.78 KDM4E (0.59) KDM4EHPGDNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021106733-A1 POWDERED SOLID COSMETIC PRODUCT 株式会社 資生堂 2021-06-03 WO disclosed
WO-2020241357-A1 PERSONAL CARE COMPOSITION AND MALODOR SUPPRESSION METHOD 株式会社 資生堂 2020-12-03 WO disclosed
US-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-02-25 US disclosed
CN-1761787-A Oxidation system comprising macrocyclic metal complexes, method for the production and use thereof LANXESS B V (NL) 2006-04-19 CN disclosed
CN-1272782-A Skin compositions for external use SHISEIDO CO LTD (JP) 2000-11-08 CN 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 (1 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-20100048660-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SMN1; SMN2, CPT1B, GYS1 KDM4E 3777/4885HPGD 2220/4885NPC1 2950/4885

“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.