SCHEMBL15029059

SCHEMBL15029059

BrCc1cc(-c2cccs2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
DRD2 P14416 7/20 0.48
DRD4 P21917 7/20 0.48
DRD3 P35462 7/20 0.48
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 4/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TOP1 P11387 1/20 0.39
NPC1 O15118 3/20 0.39

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
SCHEMBL5732649 0.80 CA12 (0.49) CA12CA9DRD2DRD4DRD3
SCHEMBL6768359 0.77 DRD2 (0.49) CA12CA9DRD2DRD4DRD3
SCHEMBL5904743 0.74 KDM4E (0.47) CA12CA9DRD2DRD4DRD3
SCHEMBL7020024 0.74 KDM4E (0.47) CA12CA9DRD2DRD4DRD3
SCHEMBL14896296 0.74 HSD17B10 (0.50) CA12CA9DRD2DRD4DRD3
SCHEMBL11961408 0.74 ALDH1A1 (0.50) DRD2DRD4DRD3KDM4EMAPT
SCHEMBL3369897 0.73 NOTUM (0.38) KDM4ETDP1MEN1KMT2AL3MBTL1
SCHEMBL4981360 0.72 NOTUM (0.68) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL4462500 0.71 KDM4E (0.45) KDM4EALDH1A1
SCHEMBL6402371 0.71 CA12 (0.45) CA12CA9DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 CA12 2060/4885CA9 2226/4885DRD2 4822/4885

“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.