SCHEMBL7899780

SCHEMBL7899780

[C-]#[N+]c1c(NN)nc(-c2ccc(C(F)(F)F)cc2)nc1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
KDM1A O60341 1/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
TRPV3 Q8NET8 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL7899634 0.83 MEN1 (0.45) ABCG2NPC1POLBKDM4ERAB9A
SCHEMBL7900197 0.81 SYK (0.40) ABCG2KDM1AKDM4ERAB9AADORA3
SCHEMBL4747831 0.78 NPSR1 (0.51) ABCG2KDM1ANPC1POLBKDM4E
SCHEMBL7892024 0.77 FOS (0.52)
SCHEMBL7892150 0.74 FLT3 (0.46) ABCG2KDM1AKDM4EADORA3LMNA
SCHEMBL10313641 0.65 XDH (0.42) ABCG2KDM4EADORA3LMNAALDH1A1
SCHEMBL30862210 0.65 KIF11 (0.58) ADORA3LMNAHRH4KIF11DPP4
SCHEMBL7903292 0.64 POLB (0.42) ABCG2POLBLMNAMEN1KMT2A
SCHEMBL6307447 0.64 HSP90AA1 (0.64) NPC1POLBKDM4ERAB9AATM
SCHEMBL7898166 0.63 FLT3 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S ABCG2 3834/4885KDM1A 2051/4885NPC1 4472/4885

“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.