SCHEMBL4886721

SCHEMBL4886721

S=C(Cn1nccn1)Nc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NOX1 Q9Y5S8 1/20 0.41
QPCT Q16769 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4877622 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL315308 0.78 PKM (0.60) ALDH1A1LMNANPC1RAB9AKDM4E
SCHEMBL13292513 0.74 MAPT (0.55) ALDH1A1LMNANPC1RAB9ACYP1A2
SCHEMBL8147267 0.71 LMNA (0.54) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL22305300 0.68 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL11265619 0.68 LMNA (0.56) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL5445907 0.67 MAPT (0.75) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL8956455 0.67 MAPT (0.75) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL10968014 0.67 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL21883137 0.66 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNANPC1RAB9A

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-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 2757/4885ALDH1A1 3361/4885LMNA 1476/4885

“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.