SCHEMBL19504164

SCHEMBL19504164

Nc1cc[n+](Cc2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 4/20 0.68
▸ F2 P00734 3/20 0.51
▸ PRSS1 P07477 2/20 0.51
▸ KDM4A O75164 2/20 0.49
▸ KDM2A Q9Y2K7 2/20 0.49
▸ MAOB P27338 2/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.40

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
Bromide SCHEMBL19468773 0.98 CHKA (0.71) CHKAF2PRSS1KDM4AKDM2A
SCHEMBL13905987 0.79 CHKA (0.68) CHKAF2PRSS1BCHEACHE
SCHEMBL24511136 0.78 F2 (0.69) CHKAF2PRSS1MAOB
Hydrochloric Acid SCHEMBL3954504 0.78 CHKA (0.66) CHKAF2PRSS1BCHEACHE
Hydrochloric Acid SCHEMBL19468767 0.77 F2 (0.67) CHKAF2PRSS1MAOB
Bromide SCHEMBL22412976 0.77 CHKA (0.70) CHKAF2PRSS1MAOBACHE
SCHEMBL9330100 0.75 KDM4A (0.45) CHKAKDM4AKDM2ALOXL2BCHE
SCHEMBL18459220 0.74 CHKA (0.61) CHKAF2PRSS1MAOBLOXL2
SCHEMBL10692064 0.74 CHKA (0.57) CHKAF2PRSS1ACHE
Bromide SCHEMBL10916294 0.73 CHKA (0.46) CHKAKDM4AKDM2ABCHEACHE

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-20170305861-A1 HETEROARYL COMPOUNDS COMPRISING NITROGEN AND USE THEREOF IMMUNOMET THERAPEUTICS, INC (US) 2017-10-26 — — 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-20170305861-A1 HETEROARYL COMPOUNDS COMPRISING NITROGEN AND USE THEREOF MKI67, NUDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHKA 1724/4885F2 1398/4885PRSS1 4181/4885

“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.

Send feedback