SCHEMBL3114751

SCHEMBL3114751

CCOC(=O)Nc1cc(Cl)c(OCC)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 5/20 0.49
HPGD P15428 5/20 0.49
NPC1 O15118 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
RORC P51449 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NLRP3 Q96P20 1/20 0.46
ABL1 P00519 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL10755429 0.91 LMNA (0.54) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL3110441 0.87 KDM4E (0.58) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL3106393 0.83 KDM4E (0.57) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL6814997 0.83 KMT2A (0.45) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL10758328 0.83 HPGD (0.51) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL10751858 0.82 KDM4E (0.55) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL11654787 0.82 KDM4E (0.55) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL11767621 0.80 KDM4E (0.70) KDM4ERAB9AHPGDNPC1CYP1A2
SCHEMBL10757910 0.80 HTT (0.55) KDM4ERAB9ANPC1CYP1A2CYP2C19
SCHEMBL1458184 0.80 RAB9A (0.60) KDM4ERAB9AHPGDNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX KDM4E 3217/4885RAB9A 1178/4885HPGD 812/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM4E 2866/4885RAB9A 1077/4885HPGD 817/4885

“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.