SCHEMBL4552953

SCHEMBL4552953

S=C1CC(c2ccccc2)N1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ATM Q13315 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4553183 0.81 SMN1; SMN2 (0.41) ABATSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL523273 0.76 ESR1 (0.62) SMN1; SMN2PAX8ALDH1A1KMT2AMEN1
SCHEMBL11183414 0.73 SMN1; SMN2 (0.41) ABATSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL4553224 0.73 ATM (0.43) ABATSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL8016689 0.73 NOTUM (0.44) ABATCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10569330 0.73 LMNA (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL18647512 0.71 ALDH1A1 (0.38) ABATSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL18647585 0.69 ABAT (0.37) ABATSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL11068412 0.69 MEN1 (0.54) SMN1; SMN2ALDH1A1GAAKMT2AMEN1
SCHEMBL31409136 0.68 RAB9A (0.47) PAX8GAAKMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 ABAT 1078/4885SMN1; SMN2 3046/4885CHRNB2 4627/4885

“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.