SCHEMBL6133613

SCHEMBL6133613

Cn1nc(-c2sc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 6/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
XBP1 P17861 1/20 0.42

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
SCHEMBL6133346 0.84 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6134226 0.84 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6134833 0.84 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133994 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHTTPOLB
Bromide SCHEMBL6133333 0.83 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133042 0.81 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL7068531 0.81 HSD17B10 (0.46) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133536 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133164 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6133258 0.80 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.