SCHEMBL964489

SCHEMBL964489

COCCN(CCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1)CCOC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
RXFP1 Q9HBX9 3/20 0.48
DCUN1D1 Q96GG9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 3/20 0.46
ALOX12 P18054 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.44
MCHR1 Q99705 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44

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
SCHEMBL967236 0.84 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL964298 0.80 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5037601 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL966244 0.75 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL966551 0.75 ALDH1A1 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10180792 0.74 MEN1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL21580315 0.74 TP53 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL21580312 0.74 TP53 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5019122 0.74 MEN1 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL13365288 0.74 MEN1 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2

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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 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 (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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885MEN1 4049/4885KMT2A 3420/4885

“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.