SCHEMBL3933897

SCHEMBL3933897

CCOC(=O)C(N)Cc1n[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ EPHX2 P34913 3/20 0.35
▸ PPARG P37231 2/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KIF11 P52732 1/20 0.34

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 0.85 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL3934765 0.77 KIF11 (0.39) KDM4ESMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL10271522 0.75 KIF11 (0.46) KDM4ESMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL20543670 0.73 EPHX2 (0.52) KDM4EALDH1A1EPHX2PPARG
Hydrochloric Acid SCHEMBL31407479 0.71 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1CTNNB1WNT3A
SCHEMBL3945810 0.71 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL16252832 0.70 CTNNB1 (0.44) KDM4ESMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL6112218 0.70 CTNNB1 (0.41) KDM4ESMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL16240695 0.69 CTNNB1 (0.45) KDM4ESMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL27600648 0.68 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPK1EPHX2PPARG

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 1126/4885SMN1; SMN2 2238/4885ALDH1A1 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.

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