SCHEMBL19951269

SCHEMBL19951269

CNC(=O)c1cccc(C(C)n2nc(C)c(NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.51
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL19951338 0.89 SMN1; SMN2 (0.40) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951273 0.85 MEN1 (0.46) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951288 0.83 SMN1; SMN2 (0.60) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951218 0.78 SMN1; SMN2 (0.52) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951232 0.78 SMN1; SMN2 (0.51) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951295 0.77 SMN1; SMN2 (0.54) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951261 0.76 SMN1; SMN2 (0.51) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951216 0.75 SMN1; SMN2 (0.53) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951257 0.74 SMN1; SMN2 (0.56) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19951201 0.74 SMN1; SMN2 (0.61) MRGPRX4SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
US-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 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-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 MRGPRX4 1432/4885SMN1; SMN2 2882/4885MEN1 603/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 MRGPRX4 1432/4885SMN1; SMN2 2882/4885MEN1 603/4885

“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.