SCHEMBL5039210

SCHEMBL5039210

Cn1nc2c(c1Br)CCCN2c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.34
ADORA1 P30542 1/20 0.34
ALOX5 P09917 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5043781 0.86 PTGS2 (0.39) PTGS2NPC1MEN1KMT2AATM
SCHEMBL5039224 0.82 CRHR1 (0.37) LMNAHTT
SCHEMBL5039181 0.80 BCHE (0.30)
SCHEMBL14031301 0.76 BCHE (0.33) ALDH1A1
SCHEMBL5043792 0.75 RXRA (0.30)
SCHEMBL5039332 0.74 PKM (0.33) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL5048509 0.70 CRHR1 (0.33) MAPTHTTALDH1A1
SCHEMBL5044132 0.69 CRHR1 (0.49)
SCHEMBL14031207 0.69
SCHEMBL5039357 0.68 CRHR1 (0.38) LMNAHTT

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-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 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-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 PTGS2 350/4885NPC1 1322/4885MEN1 4703/4885

“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.