SCHEMBL4842601

SCHEMBL4842601

Clc1ccc(-c2c(-c3ccccc3Cl)nn3c(Cl)ncnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CNR1 P21554 6/20 0.37
SIGMAR1 Q99720 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
SCHEMBL4833400 0.87 SRC (0.39) SRCNPC1RAB9AKMT2AMEN1
SCHEMBL5380218 0.82 NPC1 (0.47) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL5380215 0.81 NPC1 (0.62) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL28757337 0.80 FYN (0.39) SRCNPC1RAB9AKMT2AMEN1
SCHEMBL5375812 0.80 NPC1 (0.45) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL4832926 0.80 CNR1 (0.45) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL6510879 0.79 ADORA2A (0.41) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL5377986 0.79 KMT2A (0.48) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL4836399 0.79 CNR1 (0.38) NPC1RAB9AKMT2AMEN1NPSR1
SCHEMBL5386233 0.77 KMT2A (0.46) NPC1RAB9AKMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 SRC 1810/4885NPC1 650/4885RAB9A 1354/4885

“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.