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
SCHEMBL3772673 0.73 CYP19A1 (0.58) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL30378574 0.73 CYP19A1 (0.58) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL30123146 0.73 HSD17B10 (0.62) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL38240 0.73 HSD17B10 (0.62) ATP4AATP4BCYP19A1NPC1RAB9A
SCHEMBL6318196 0.72 — —
Bromide SCHEMBL1915171 0.71 HSD17B10 (0.61) 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.

Send feedback