SCHEMBL5832230

SCHEMBL5832230

CC(C)C(=S)Nc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX12 P18054 1/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL12835096 0.78 ALDH1A1 (0.62) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL29875554 0.78 ALDH1A1 (0.62) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL29838503 0.77 ALDH1A1 (0.70) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL5449341 0.77 ALDH1A1 (0.70) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL5188523 0.77 SMN1; SMN2 (0.68) KMT2AL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10459409 0.76 ALDH1A1 (0.53) KMT2AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL29639347 0.74 L3MBTL1 (0.59) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL20560546 0.74 RAB9A (0.57) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL147200 0.74 L3MBTL1 (0.59) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E
SCHEMBL5718560 0.73 MASP2 (0.57) KMT2AL3MBTL1ALDH1A1RAB9AKDM4E

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-7084164-B2 Triazole derivative ASTELLAS PHARMA, INC. (JP) 2006-08-01 US disclosed
US-7034047-B2 Triazole derivative ASTELLAS PHARMA, INC. (JP) 2006-04-25 US disclosed
US-20060025461-A1 Triazole derivative ASTELLAS PHARMA INC. 2006-02-02 US disclosed
US-20040214818-A1 Triazole derivative YAMANOUCHI PHARMACEUTICAL CO., LTD., MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2004-10-28 US disclosed
US-20030216385-A1 Triazole derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1293503-A1 TRIAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-03-19 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 (3 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-20040214818-A1 Triazole derivative SLC18A3, SLC6A3, SLC18A2 KMT2A 2031/4885L3MBTL1 1494/4885ALDH1A1 4027/4885
US-20030216385-A1 Triazole derivatives SLC18A3, SLC18A2, SLC6A3 KMT2A 2101/4885L3MBTL1 1512/4885ALDH1A1 4011/4885
US-20060025461-A1 Triazole derivative SLC18A3, SLC6A3, SLC18A2 KMT2A 2031/4885L3MBTL1 1494/4885ALDH1A1 4027/4885

“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.