SCHEMBL4114630

SCHEMBL4114630

C#Cc1ccc(N/C(=N\Nc2ccc(Cl)cc2)C(=O)c2ccco2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 9/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL4114633 1.00 RAB9A (0.51) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL19521472 1.00 RAB9A (0.51) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4115400 0.91 RAB9A (0.61) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4115397 0.91 RAB9A (0.61) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4109125 0.85 SMN1; SMN2 (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4108944 0.85 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4109122 0.85 SMN1; SMN2 (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4108941 0.85 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL19521467 0.81 SMN1; SMN2 (0.49) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4114859 0.77 NPC1 (0.57) RAB9ANPC1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US claimed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US claimed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP claimed
US-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2019-04-25 US disclosed
WO-2017190077-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2017-11-02 WO disclosed
US-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP 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 (2 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-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER S1PR3, S1PR1, S1PR4 RAB9A 2012/4885NPC1 4153/4885MEN1 1023/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 RAB9A 3324/4885NPC1 512/4885MEN1 1287/4885

“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.