SCHEMBL4627466

SCHEMBL4627466

NC(=NCc1ccccc1)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 5/20 0.60
▸ HSD17B10 Q99714 3/20 0.50
▸ SCN2A Q99250 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GLA P06280 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MALT1 Q9UDY8 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ SCNN1A P37088 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ FTO Q9C0B1 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GMNN O75496 2/20 0.49

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 SCHEMBL4627439 0.99 CTSD (0.58) CTSDHSD17B10SCN2AKDM4EALDH1A1
SCHEMBL4629283 0.82 KMT2A (0.49) CTSDHSD17B10SCN2AKDM4EALDH1A1
SCHEMBL4629368 0.76 SCN2A (0.59) CTSDSCN2AALDH1A1NPC1
SCHEMBL18690745 0.76 SCN2A (0.63) CTSDHSD17B10SCN2AKDM4EALDH1A1
SCHEMBL18690743 0.76 SCN2A (0.63) CTSDHSD17B10SCN2AKDM4EALDH1A1
SCHEMBL10646303 0.76 KMT2A (0.57) HSD17B10CYP2D6HIF1AMAPTCYP1A2
Guanfacine SCHEMBL27931523 0.75 AKR1B1 (0.51) HSD17B10SCN2AALDH1A1CYP2D6HIF1A
Guanfacine SCHEMBL438188 0.74 AKR1B1 (0.53) HSD17B10ALDH1A1CYP2D6HIF1AMAPT
Guanfacine SCHEMBL27913309 0.74 AKR1B1 (0.50) HSD17B10SCN2AALDH1A1CYP2D6HIF1A
Guanfacine SCHEMBL35094 0.73 KMT2A (0.54) HSD17B10CYP2D6HIF1AMAPTGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 — — EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 — — EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 — — US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 — — US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 — — EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 — — EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 — — 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA CTSD 100/4885HSD17B10 1498/4885SCN2A 1613/4885

“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.

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