SCHEMBL5097608

SCHEMBL5097608

c1ccc(-c2csc(CNC[C@@H]3CCCN3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IGF1R P08069 1/20 0.41
LMNA P02545 3/20 0.40
HTR3A P46098 1/20 0.39
PRKCI P41743 2/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL1778077 0.80 POLB (0.52) LOXL2NPC1RAB9AMEN1ALDH1A1
SCHEMBL1778079 0.80 POLB (0.52) LOXL2NPC1RAB9AMEN1ALDH1A1
SCHEMBL5093615 0.80 DRD2 (0.54) NPC1RAB9AALDH1A1LMNAPRKCI
SCHEMBL5106987 0.80 DRD2 (0.54) NPC1RAB9AALDH1A1LMNAPRKCI
SCHEMBL5107055 0.79 RAB9A (0.40) LOXL2NPC1RAB9AMEN1ALDH1A1
SCHEMBL5106503 0.79 RAB9A (0.40) LOXL2NPC1RAB9AMEN1ALDH1A1
SCHEMBL1598710 0.77 NPC1 (0.54) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL5100538 0.77 LOXL2 (0.41) LOXL2
SCHEMBL5097607 0.76 HTR2C (0.49) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL1750429 0.74 POLB (0.46) RAB9AMEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US disclosed
US-20060074071-A1 Substituted arylamides CHEMOCENTRYX, INC. (US) 2006-04-06 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-20060074071-A1 Substituted arylamides AADAC, BRDT, BRPF3 LOXL2 1187/4885NPC1 584/4885RAB9A 2912/4885

“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.