SCHEMBL6504612

SCHEMBL6504612

O=C(NNNC(=S)c1ccccc1)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
CA1 P00915 3/20 0.57
CA9 Q16790 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
EPHX1 P07099 1/20 0.51
PLOD2 O00469 1/20 0.50
PLOD3 O60568 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLOD1 Q02809 1/20 0.50
HIF1A Q16665 1/20 0.50
KCNK3 O14649 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL6499731 0.84 GAA (0.57) GAACA1CA9ALDH1A1HPGD
SCHEMBL6502042 0.84 CA1 (0.59) GAACA1CA9ALDH1A1HPGD
SCHEMBL6502761 0.84 KMT2A (0.54) GAACA1CA9ALDH1A1HTT
SCHEMBL2986200 0.82 ALDH1A1 (0.83) GAACA1CA9ALDH1A1HTT
SCHEMBL9825195 0.79 RAB9A (0.61) GAACA1CA9ALDH1A1MEN1
SCHEMBL2992964 0.74 ALDH1A1 (1.00) GAACA1CA9ALDH1A1CYP1A2
SCHEMBL9131717 0.74 ALDH1A1 (0.63) GAACA1CA9ALDH1A1MEN1
SCHEMBL14526874 0.73 CTDSP1 (0.75) GAACA1CA9ALDH1A1JAK2
SCHEMBL250413 0.73 PTGS2 (0.75) GAACA1CA9ALDH1A1HTT
Pyridine SCHEMBL28224544 0.72 CA1 (0.75) GAACA1CA9ALDH1A1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222423-A1 Carboxylic acid derivative TAISHO PHARMECEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
EP-1466891-A1 CARBOXYLIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-10-13 EP disclosed
WO-2002043668-A2 ANTIMYCOBACTERIAL COMPOUNDS AND METHOD FOR MAKING THE SAME WELLESLEY COLLEGE (US) 2002-06-06 WO 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-20050222423-A1 Carboxylic acid derivative KDR, FLT1, FLT4 GAA 2442/4885CA1 803/4885CA9 313/4885

“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.