SCHEMBL21609563

SCHEMBL21609563

Oc1nsc2cc(Br)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
EPAS1 Q99814 3/20 0.35
LSS P48449 3/20 0.33
PLAU P00749 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
ERN1 O75460 1/20 0.33
PDPK1 O15530 2/20 0.32
JAK2 O60674 2/20 0.32
ESR2 Q92731 1/20 0.32
MIF P14174 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL14352536 0.79 EPAS1 (0.37) EPAS1LSSPLAUPDGFRACDK5
Ticlatone SCHEMBL910248 0.76 ALDH1A1 (0.40) ALOX15EPAS1NPC1CYP1A2CYP3A4
SCHEMBL13202665 0.76 LSS (0.36) EPAS1LSSPDGFRACDK5TYRO3
SCHEMBL14861787 0.76 MIF (0.38) EPAS1LSSPDPK1JAK2MIF
SCHEMBL20520481 0.76 LSS (0.35) EPAS1LSSPLAURAB9A
SCHEMBL8484255 0.75 LSS (0.46) LSSPDPK1ESR2
SCHEMBL30209249 0.74 RXFP1 (0.41) LSSPDGFRACDK5TYRO3NPC1
SCHEMBL260308 0.74 RXFP1 (0.41) LSSPDGFRACDK5TYRO3NPC1
SCHEMBL4777702 0.73 DGAT1 (0.39) LSSPLAUGSK3AGSK3BPDGFRA
SCHEMBL22574465 0.72 ERBB2 (0.34) EPAS1LSSPDPK1JAK2BACE1

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-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni INTERVET INC. (US) 2025-02-18 US disclosed
US-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI INTERVET INC. (US) 2021-09-23 US disclosed
EP-3810576-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI Intervet International B.V. (NL) 2021-04-28 EP disclosed
WO-2020002234-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI INTERVET INTERNATIONAL B.V. (NL) 2020-01-02 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 (2 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-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI SORD, HEXD, SDHA ALOX15 1159/4885EPAS1 4050/4885LSS 1398/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 ALOX15 1031/4885EPAS1 4028/4885LSS 1299/4885

“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.