SCHEMBL6133346

SCHEMBL6133346

CCCn1nc(-c2sc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 3/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7068531 0.92 HSD17B10 (0.46) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6134833 0.91 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133042 0.88 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133536 0.85 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133164 0.85 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133851 0.84 HSD17B10 (0.45) CYP1A2KDM4EHSD17B10MEN1KMT2A
SCHEMBL6133258 0.84 ALDH1A1 (0.47) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133613 0.84 ALDH1A1 (0.55) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133442 0.83 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133655 0.82 ALDH1A1 (0.47) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19

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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ALDH1A1 630/4885MAPT 3008/4885CYP1A2 114/4885

“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.