SCHEMBL6452033

SCHEMBL6452033

O=[N+]([O-])c1ccc(-c2cnc(NC3CCCCC3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
XDH P47989 1/20 0.48
ALOX5 P09917 1/20 0.44
APP P05067 1/20 0.44
RIPK1 Q13546 1/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTT P42858 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 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
Hydrochloric Acid SCHEMBL28805026 0.76 XDH (0.55) MAPTLMNAGAAXDHAPP
SCHEMBL15106737 0.75 PPARA (0.43) MAPTPOLBALDH1A1HTTMAPK1
SCHEMBL14637888 0.75 PPARA (0.43) MAPTPOLBALDH1A1HTTMAPK1
SCHEMBL15106924 0.75 PPARA (0.43) MAPTPOLBALDH1A1HTTMAPK1
SCHEMBL24019055 0.73 USP30 (0.43) MAPTGAAALOX5ALDH1A1USP30
SCHEMBL14656404 0.72 MAPT (0.55) MAPTPOLBLMNAGAAALOX5
SCHEMBL16755954 0.72 MAPT (0.96) MAPTPOLBLMNAGAARIPK1
SCHEMBL3477702 0.72 MAPT (0.96) MAPTPOLBLMNAGAARIPK1
SCHEMBL6464643 0.72 RAB9A (0.52) MAPTPOLBLMNAGAAALOX5
SCHEMBL1473102 0.72 LMNA (0.58) MAPTPOLBLMNAGAARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852720-B2 Thiazol-2-yl-imine compounds as PDE-7 inhibitors PFIZER INC. (US) 2005-02-08 US disclosed
EP-1492530-A1 THIAZOL-2-YL-IMINE COMPOUNDS AS PDE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-05 EP disclosed
WO-2003082277-A1 THIAZOL-2-YL-IMINE COMPOUNDS AS PDE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO disclosed
US-20030186988-A1 Thiazol-2-yl-imine compounds as PDE-7 inhibitors WARNER-LAMBERT COMPANY LLC 2003-10-02 US disclosed
EP-1348433-A1 Thiazol-2-yl-imine compounds as PDE-7 inhibitors Warner-Lambert Company LLC (US) 2003-10-01 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 (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-20030186988-A1 Thiazol-2-yl-imine compounds as PDE-7 inhibitors PDE7A, PDE3A, PDE9A MAPT 2508/4885POLB 1348/4885LMNA 3249/4885

“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.