SCHEMBL14019596

SCHEMBL14019596

CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(C(=O)NCCCC(=O)N2CCOCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
USP28 Q96RU2 1/20 0.38
AOC3 Q16853 11/20 0.37
FKBP1A P62942 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL4873611 0.99 ALDH1A1 (0.40) ALDH1A1USP28AOC3FKBP1AFLT1
SCHEMBL14019595 0.92 POLB (0.39) ALDH1A1USP28AOC3GAA
Hydrochloric Acid SCHEMBL4873425 0.92 POLB (0.39) ALDH1A1USP28AOC3GAA
SCHEMBL14019592 0.89 GAA (0.46) ALDH1A1FLT1KDRGAALMNA
Hydrochloric Acid SCHEMBL4875872 0.88 GAA (0.46) ALDH1A1FLT1KDRGAALMNA
Hydrochloric Acid SCHEMBL6390888 0.87 ALDH1A1 (0.39) ALDH1A1USP28AOC3FKBP1ATSHR
Carbamic Acid SCHEMBL4874630 0.86 ALDH1A1 (0.39) ALDH1A1USP28AOC3FKBP1AGAA
SCHEMBL4874627 0.86 ALDH1A1 (0.39) ALDH1A1USP28AOC3FKBP1AGAA
SCHEMBL14019569 0.83 AOC3 (0.39) AOC3
SCHEMBL4991683 0.83 ALDH1A1 (0.38) ALDH1A1USP28AOC3FKBP1AGAA

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 ALDH1A1 927/4885USP28 3305/4885AOC3 202/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 ALDH1A1 539/4885USP28 4875/4885AOC3 3576/4885

“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.