SCHEMBL6464643

SCHEMBL6464643

Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
MAPT P10636 6/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
ALOX5 P09917 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RIPK1 Q13546 1/20 0.46
PPARA Q07869 1/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6454854 0.81 NPC1 (0.48) RAB9AMAPTLMNAPOLBGAA
SCHEMBL4250476 0.77 PDE7A (0.50) RAB9AMAPTLMNAPOLBSMN1; SMN2
SCHEMBL6452033 0.72 MAPT (0.52) MAPTLMNAPOLBGAAALOX5
SCHEMBL16755954 0.71 MAPT (0.96) MAPTLMNAPOLBGAASMN1; SMN2
SCHEMBL3477702 0.71 MAPT (0.96) MAPTLMNAPOLBGAASMN1; SMN2
SCHEMBL4252175 0.71 PDE7A (0.52) RAB9ALMNASMN1; SMN2TDP1NPC1
SCHEMBL3123820 0.70 GABBR2 (0.64) MAPTLMNAPOLBGAAALOX5
SCHEMBL3477664 0.69 MAPT (1.00) MAPTLMNAPOLBGAASMN1; SMN2
SCHEMBL3111491 0.69 MAPT (0.49) MAPTLMNAPOLBGAAALOX5
SCHEMBL8867718 0.69 RAB9A (1.00) RAB9AMAPTPOLBGAASMN1; SMN2

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
EP-1492778-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6753340-B2 AUTOIMMUNE DISEASE, ANTIARTHRITIC AGENTS, ANTIALLERGENS, ANTICANCER AGENTS WARNER-LAMBERT COMPANY LLC 2004-06-22 US disclosed
US-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors WARNER-LAMBERT COMPANY LLC 2003-10-09 US disclosed
WO-2003082839-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO disclosed
EP-1348701-A1 (2,4-disubstituted-thiazol-5-yl) amine compounds as PDE7 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-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors PDE7A, PDE9A, PDE3A RAB9A 1013/4885MAPT 2707/4885LMNA 3928/4885

“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.