SCHEMBL6318066

SCHEMBL6318066

COc1ccccc1-c1csc(N=C=O)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 4/20 0.65
▸ ATP4B P51164 4/20 0.65
▸ CYP19A1 P11511 1/20 0.53
▸ VCP P55072 1/20 0.48
▸ HPGDS O60760 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ HTR3A P46098 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ SREBF2 Q12772 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ C1S P09871 1/20 0.42

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
Bromide SCHEMBL826507 0.78 ATP4A (1.00) ATP4AATP4BCYP19A1VCPMAPT
SCHEMBL6310643 0.78 ATP4A (0.62) ATP4AATP4BCYP19A1KMT2AKDM1A
SCHEMBL6311644 0.76 ATP4A (0.42) ATP4AATP4BKMT2AMAPTALDH1A1
SCHEMBL8695711 0.75 CYP19A1 (0.61) ATP4AATP4BCYP19A1VCPHPGDS
SCHEMBL27711558 0.75 CYP19A1 (0.61) ATP4AATP4BCYP19A1VCPHPGDS
SCHEMBL234658 0.75 ALDH1A1 (0.63) ATP4AATP4BCYP19A1VCPHPGDS
SCHEMBL29796690 0.75 ALDH1A1 (0.63) ATP4AATP4BCYP19A1VCPHPGDS
Iodide SCHEMBL11486465 0.74 ALDH1A1 (0.61) ATP4AATP4BCYP19A1VCPHPGDS
SCHEMBL13284002 0.74 CYP19A1 (0.56) ATP4AATP4BCYP19A1VCPHPGDS
SCHEMBL6318070 0.74 MAPT (0.63) ATP4AATP4BCYP19A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates MITSUI CHEMICALS, INC. (JP) 2005-06-30 — — US disclosed
EP-1489073-A1 PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES MITSUI CHEMICALS, INC. (JP) 2004-12-22 — — 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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates CBR3, CBR1, IDH1 ATP4A 1592/4885ATP4B 1690/4885CYP19A1 2936/4885

“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.

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