SCHEMBL3345335

SCHEMBL3345335

COc1ccc(OC)c(CCNc2ncnc3scc(C)c23)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.45
GALR3 O60755 2/20 0.45
NR2F2 P24468 2/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3341524 0.86 RAB9A (0.64) RAB9AHTTSMN1; SMN2MAPTTHRB
SCHEMBL3342180 0.83 HTT (0.60) RAB9AHTTSMN1; SMN2MAPTLMNA
SCHEMBL3342307 0.82 RAB9A (0.58) RAB9AHTTSMN1; SMN2MAPTLMNA
SCHEMBL5463611 0.80 MAPT (0.62) HTTMAPTLMNATP53POLB
Hydrochloric Acid SCHEMBL5474323 0.79 MAPT (0.61) HTTMAPTLMNATP53POLB
SCHEMBL8497061 0.77 RAB9A (0.64) RAB9AHTTSMN1; SMN2MAPTLMNA
SCHEMBL3339732 0.77 RAB9A (0.66) RAB9AHTTSMN1; SMN2MAPTLMNA
SCHEMBL3339804 0.77 MEN1 (0.64) RAB9AHTTSMN1; SMN2MAPTLMNA
SCHEMBL3342319 0.76 CCNC (0.70) RAB9AHTTSMN1; SMN2MAPTTHRB
SCHEMBL3339911 0.76 TNF (0.65) RAB9AHTTSMN1; SMN2MAPTLMNA

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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 RAB9A 2578/4885HTT 383/4885SMN1; SMN2 4740/4885

“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.