SCHEMBL3945810

SCHEMBL3945810

CCOC(=O)C(N)Cc1n[nH]c2cccc(F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CTSK P43235 1/20 0.38
▸ CDK8 P49336 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.36
▸ KIT P10721 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ LCK P06239 2/20 0.36

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
SCHEMBL3938749 0.81 ALDH1A1 (0.40) KDM4EKMT2AALDH1A1TSHRALOX15
SCHEMBL3944570 0.76 KDR (0.38) GAACDK8CDK5ROCK1CLK4
SCHEMBL1065575 0.75 KMT2A (0.48) KDM4EKMT2AALDH1A1TSHRGLA
SCHEMBL3810014 0.74 KDM4E (0.58) KDM4EKMT2AALDH1A1TSHRGLA
SCHEMBL10271520 0.73 FFAR1 (0.40) KDM4EKMT2AALDH1A1TSHRGAA
SCHEMBL3933897 0.71 KDM4E (0.46) KDM4EALDH1A1TSHRHSD17B10SCN9A
SCHEMBL7342562 0.71 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1SCN9APOLB
SCHEMBL20543771 0.71 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1SCN9APOLB
SCHEMBL21117726 0.71 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1SCN9APOLB
SCHEMBL33528006 0.70 HTR2A (0.44) KDM4EKMT2AALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 — — US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 — — 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 (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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 KDM4E 1126/4885KMT2A 331/4885ALDH1A1 388/4885

“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.

Send feedback