SCHEMBL14019587

SCHEMBL14019587

CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(C(=O)NCc2cccnc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
AOC3 Q16853 2/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM4 P08173 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 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 SCHEMBL4866018 0.99 ALDH1A1 (0.52) ALDH1A1HTTMAPTPOLBLMNA
SCHEMBL14019521 0.90 AOC3 (0.50) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL14019584 0.89 TSHR (0.41) AOC3
Hydrochloric Acid SCHEMBL4883911 0.89 AOC3 (0.51) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL14019524 0.89 KMT2A (0.45) ALDH1A1HTTMAPTPOLBLMNA
Hydrochloric Acid SCHEMBL4871427 0.89 AOC3 (0.42) AOC3
Hydrochloric Acid SCHEMBL4871126 0.88 KMT2A (0.44) ALDH1A1HTTMAPTPOLBLMNA
SCHEMBL14044986 0.86 AOC3 (0.41) AOC3
Carbamic Acid SCHEMBL4877013 0.85 ALDH1A1 (0.46) ALDH1A1HTTMAPTPOLBLMNA
SCHEMBL14019526 0.84 AOC3 (0.45) HTTMAPTPOLBLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 927/4885HTT 1373/4885MAPT 430/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 ALDH1A1 539/4885HTT 1169/4885MAPT 1001/4885

“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.