SCHEMBL2851401

SCHEMBL2851401

CNCCc1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
HTT P42858 1/20 0.66
POLB P06746 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
DDAH1 O94760 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.57
PDE10A Q9Y233 1/20 0.56
CHRM1 P11229 1/20 0.55

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
Hydrochloric Acid SCHEMBL8323737 0.98 PKM (0.71) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL1884521 0.90 POLB (0.72) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL7273283 0.89 POLB (0.75) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL7265452 0.87 POLB (0.73) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL7267160 0.87 POLB (0.73) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL7275409 0.87 POLB (0.73) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL21486245 0.83 SMN1; SMN2 (0.63) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL230157 0.83 POLB (0.84) PKMPOLBDDAH1NPC1RAB9A
SCHEMBL13439413 0.83 POLB (0.66) PKMHTTPOLBSMN1; SMN2DDAH1
SCHEMBL336412 0.82 PKM (0.96) PKMPOLBSMN1; SMN2DDAH1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150618-A2 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed
WO-2021191202-A1 PROCESS FOR THE PRODUCTION OF FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2021-09-30 WO disclosed
US-9422308-B2 Derivatives of docosahexaenoylethanolamide and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-23 US disclosed
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-01-29 US disclosed
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 WO disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP 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-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF GAP43, DGAT2, DCX PKM 4289/4885HTT 1788/4885POLB 1719/4885
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A PKM 4209/4885HTT 2887/4885POLB 2616/4885

“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.