SCHEMBL4930660

SCHEMBL4930660

COc1ccc(-n2c(NCc3ccc(C(C)(C)C)cc3)nc3ccc(Cl)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
P2RX3 P56373 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4930629 0.90 NPC1 (0.50) TP53SMN1; SMN2MAPTP2RX3KMT2A
SCHEMBL4931809 0.89 CYP3A4 (0.44) SMN1; SMN2P2RX3KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL4932676 0.89 NPC1 (0.49) TP53SMN1; SMN2MAPTP2RX3KMT2A
SCHEMBL4930475 0.89 DCTPP1 (0.47) TP53LMNASMN1; SMN2MAPTP2RX3
SCHEMBL4930564 0.89 NPC1 (0.41) TP53LMNASMN1; SMN2MAPTHTT
SCHEMBL4924591 0.89 NPC1 (0.41) TP53LMNASMN1; SMN2MAPTHTT
SCHEMBL14305568 0.88 KMT2A (0.44) TP53LMNASMN1; SMN2MAPTHTT
SCHEMBL4921521 0.88 P2RX3 (0.40) TP53SMN1; SMN2MAPTP2RX3KMT2A
SCHEMBL14315833 0.88 P2RX3 (0.40) TP53LMNASMN1; SMN2MAPTHTT
SCHEMBL4927317 0.87 P2RX3 (0.41) TP53LMNASMN1; SMN2MAPTP2RX3

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-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 TP53 2793/4885LMNA 4744/4885SMN1; SMN2 4521/4885

“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.