SCHEMBL4050001

SCHEMBL4050001

CSc1nc(-c2ccc(Cl)cc2)cs1.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.44
MAOA P21397 4/20 0.44
POLB P06746 1/20 0.42
PLAU P00749 3/20 0.41
C1S P09871 2/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABL1 P00519 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 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
SCHEMBL4048668 0.89 MEN1 (0.42) PLAUC1SNPC1RAB9AMEN1
SCHEMBL4050951 0.87 C1S (0.42) KDM1AMAOAPOLBC1SNPC1
SCHEMBL4050006 0.81 KDM1A (0.45) KDM1AMAOAPOLBPLAUC1S
SCHEMBL4050453 0.81 ALDH1A1 (0.41) NPC1RAB9AKMT2ALMNATP53
SCHEMBL4047040 0.78 RAB9A (0.56) POLBPLAUC1SNPC1RAB9A
SCHEMBL4051453 0.77 SMN1; SMN2 (0.62)
SCHEMBL4050004 0.75 RORC (0.48) KDM1AMAOAPOLBPLAUC1S
SCHEMBL4051276 0.72 FBP1 (0.41) RAB9AMEN1KMT2ALMNATP53
SCHEMBL4050602 0.70 CASR (0.46) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL4048678 0.70 PHGDH (0.46) KDM1AMAOAPLAUC1SNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED 2009-10-01 US disclosed
EP-2029584-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-03-04 EP disclosed
WO-2007096618-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-08-30 WO 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-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE RB1, RBBP5, RRM2B KDM1A 375/4885MAOA 3928/4885POLB 425/4885

“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.