SCHEMBL5106503

SCHEMBL5106503

c1ccc(-c2csc(CNC[C@@H]3C[C@@H]4CCCC[C@@H]4N3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
IGF1R P08069 1/20 0.38
LMNA P02545 3/20 0.37
ALOX5 P09917 1/20 0.36
HTR3A P46098 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34

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
SCHEMBL5107055 1.00 RAB9A (0.40) RAB9ANPC1LOXL2KMT2AMEN1
SCHEMBL5097608 0.79 LOXL2 (0.43) RAB9ANPC1LOXL2KMT2AMEN1
SCHEMBL5106500 0.78 USP30 (0.52) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL5107052 0.78 USP30 (0.52) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL5093640 0.77 DRD2 (0.32)
SCHEMBL14098521 0.77 RAB9A (0.40) RAB9ANPC1LOXL2KMT2AMEN1
SCHEMBL5100637 0.71 CYP1A2 (0.44) RAB9ANPC1ALOX5MAOAMAOB
SCHEMBL5107404 0.70 PDE10A (0.38) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL14138711 0.70 USP30 (0.42) RAB9AKMT2AALDH1A1MAPTLMNA
SCHEMBL5097412 0.69 LOXL2 (0.40) RAB9ANPC1LOXL2KMT2AMEN1

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 RAB9A 2912/4885NPC1 584/4885LOXL2 1187/4885

“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.