SCHEMBL10200799

SCHEMBL10200799

Oc1cc(F)c(Br)cc1I

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
MAPK8 P45983 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LIMK1 P53667 1/20 0.32
TYRO3 Q06418 1/20 0.32
MAPK14 Q16539 1/20 0.32
LRRK2 Q5S007 1/20 0.32
AURKB Q96GD4 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM1A O60341 2/20 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
SCHEMBL25105486 0.91 ACHE (0.35) CHEK1DAPK3RETPDGFRBPIM1
SCHEMBL30687171 0.79 ALOX15 (0.38) KDM1AKCNH2CA3CA9KDM1B
SCHEMBL1697562 0.79 ALOX15 (0.38) KDM1AKCNH2CA3CA9KDM1B
SCHEMBL18894055 0.79 CA9 (0.36) HSP90AA1CA3CA9CA1CA2
SCHEMBL366414 0.77 CA3 (0.40) NPC1RAB9AKDM1AKCNH2CA3
SCHEMBL1191944 0.77 KDM1A (0.34) NPC1RAB9AKDM1AKCNH2CA3
SCHEMBL31753632 0.77 CA3 (0.40) NPC1RAB9AKDM1AKCNH2CA3
SCHEMBL31633769 0.72 KDM1A (0.39) NPC1RAB9AKDM1AKCNH2CA3
SCHEMBL5174339 0.72 KDM1A (0.39) NPC1RAB9AKDM1AKCNH2CA3
SCHEMBL31544453 0.72 KDM1A (0.34) ACHEBACE1NPC1RAB9AKDM1A

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CHEK1 4636/4885DAPK3 1015/4885RET 3616/4885

“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.