SCHEMBL4999715

SCHEMBL4999715

COc1cccc([C@H](C)NCc2cccc(NC(=O)c3cccs3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CASR P41180 7/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
SENP5 Q96HI0 1/20 0.53
SENP2 Q9HC62 1/20 0.53
SENP1 Q9P0U3 1/20 0.53
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL14074103 1.00 RAB9A (0.65) RAB9ANPC1SMN1; SMN2CASRMEN1
SCHEMBL2530312 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14074104 0.79 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2CASRMEN1
SCHEMBL3924558 0.78 CASR (0.69) SMN1; SMN2CASRMEN1KMT2ALMNA
SCHEMBL8199156 0.77 MAPT (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4999962 0.77 MAPT (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3960599 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CASRMEN1KMT2A
SCHEMBL8203892 0.76 SMN1; SMN2 (0.55) SMN1; SMN2CASRMEN1KMT2A
SCHEMBL6123167 0.75 ALDH1A1 (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29684366 0.74 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221101-A1 Calcium receptor modulating agents AMGEN INC. (US) 2008-09-11 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-20080221101-A1 Calcium receptor modulating agents CASR, RYR1, RYR2 RAB9A 1512/4885NPC1 1243/4885SMN1; SMN2 2433/4885

“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.