SCHEMBL6310643

SCHEMBL6310643

O=C=Nc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.62
ATP4B P51164 5/20 0.62
CYP19A1 P11511 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GSTO1 P78417 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
KDM1A O60341 1/20 0.42
DHODH Q02127 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6318066 0.78 ATP4A (0.65) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL6316774 0.77 ATP4A (0.58) ATP4AATP4BNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL826537 0.76 ATP4A (1.00) ATP4AATP4BMAPT
SCHEMBL6310648 0.74 RAB9A (0.49) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30378574 0.73 CYP19A1 (0.58) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL30123146 0.73 HSD17B10 (0.62) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL38240 0.73 HSD17B10 (0.62) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL3772673 0.73 CYP19A1 (0.58) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL6318196 0.72
SCHEMBL12067391 0.71 CYP19A1 (0.57) ATP4AATP4BCYP19A1NPC1RAB9A

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.