SCHEMBL5129643

SCHEMBL5129643

COc1ccc(Cl)cc1CC(N)=S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ADRB2 P07550 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3869208 0.83 MEN1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5125622 0.80 KDM4E (0.49) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL3876888 0.78 MEN1 (0.51) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL10864958 0.78 CYP3A4 (0.61) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL3870178 0.78 HSD17B10 (0.68) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL712489 0.77 MAPT (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1196055 0.77 KDM4E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11008127 0.77 PKM (0.60) POLBPKMLMNAMEN1KMT2A
SCHEMBL7135010 0.77 MEN1 (0.54) POLBPKMLMNAMEN1KMT2A
SCHEMBL12370675 0.76 IDO1 (0.50) POLBLMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 HTR3E 601/4885HTR3B 328/4885HTR3A 513/4885

“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.