SCHEMBL15897828

SCHEMBL15897828

ON=C(Cl)c1cc(F)c(Br)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.35
KDM1B Q8NB78 4/20 0.35
KCNH2 Q12809 2/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR27 Q9NS67 1/20 0.31

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
SCHEMBL27130651 0.86 KDM1A (0.36) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL27007899 0.86 KDM1A (0.36) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL30745980 0.86 KDM1A (0.36) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL18502975 0.78 KDM1A (0.36) KDM1AKDM1BNPC1RAB9AGPR27
SCHEMBL18302288 0.78 KDM1A (0.36) KDM1AKDM1BNPC1RAB9AGPR27
SCHEMBL18302286 0.78 KDM1A (0.36) KDM1AKDM1BNPC1RAB9AGPR27
SCHEMBL18502978 0.76 GABRA1 (0.31)
SCHEMBL18489289 0.76 GABRA1 (0.31)
SCHEMBL30204833 0.76 ESR1 (0.42) KDM1AKDM1BKCNH2GPR27
SCHEMBL18489290 0.76 GABRA1 (0.31)

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM1A 3743/4885KDM1B 3605/4885KCNH2 1624/4885

“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.