SCHEMBL19951301

SCHEMBL19951301

COC(=O)c1cccc(Cn2nc(C)c(NC(=O)c3ccc(COc4ccccc4)cc3)c2C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 5/20 0.61
LMNA P02545 5/20 0.61
HTT P42858 3/20 0.61
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
PTGDR2 Q9Y5Y4 3/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL19951356 0.93 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951320 0.92 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951340 0.91 MEN1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951326 0.91 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951253 0.91 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951265 0.90 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951239 0.89 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951200 0.89 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951212 0.89 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL19951245 0.88 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2AALDH1A1LMNA

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 SMN1; SMN2 2882/4885MEN1 603/4885KMT2A 2137/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 SMN1; SMN2 2882/4885MEN1 603/4885KMT2A 2137/4885

“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.