SCHEMBL14019593

SCHEMBL14019593

CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(C(=O)NCCCN2CCCC2=O)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TYRO3 Q06418 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
NAMPT P43490 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 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
Hydrochloric Acid SCHEMBL4865269 0.99 RAB9A (0.47) RAB9ASMN1; SMN2NPC1RXFP1L3MBTL1
Hydrochloric Acid SCHEMBL6392840 0.91 RAB9A (0.43) RAB9ASMN1; SMN2NPC1RXFP1L3MBTL1
Hydrochloric Acid SCHEMBL6392833 0.87 RAB9A (0.44) RAB9ASMN1; SMN2NPC1RXFP1L3MBTL1
Carbamic Acid SCHEMBL4876208 0.86 RAB9A (0.42) RAB9ASMN1; SMN2NPC1RXFP1L3MBTL1
SCHEMBL4876201 0.85 RAB9A (0.43) RAB9ASMN1; SMN2NPC1RXFP1L3MBTL1
SCHEMBL14019592 0.85 GAA (0.46) SMN1; SMN2L3MBTL1ALDH1A1KMT2ANAMPT
Hydrochloric Acid SCHEMBL4875872 0.84 GAA (0.46) SMN1; SMN2L3MBTL1ALDH1A1KMT2ANAMPT
SCHEMBL14019595 0.83 POLB (0.39) ALDH1A1
SCHEMBL14019574 0.83 AOC3 (0.43)
Hydrochloric Acid SCHEMBL4873425 0.83 POLB (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 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 (2 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB RAB9A 2149/4885SMN1; SMN2 3771/4885NPC1 549/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 RAB9A 3125/4885SMN1; SMN2 1861/4885NPC1 1460/4885

“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.