SCHEMBL796517

SCHEMBL796517

CCCCNc1ncnc2nc[nH]c12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.82
CYP3A4 P08684 3/20 0.68
LMNA P02545 5/20 0.67
HSD17B10 Q99714 5/20 0.67
TP53 P04637 2/20 0.67
MAPT P10636 2/20 0.67
ALOX15 P16050 2/20 0.67
GFER P55789 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 1/20 0.66
TSHR P16473 4/20 0.64
PRMT1 Q99873 2/20 0.63
CYP1A2 P05177 3/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
MAPK1 P28482 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59

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
SCHEMBL3806903 0.95 HTT (0.80) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL5066429 0.94 HTT (0.78) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL5177317 0.94 HTT (0.78) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL28860002 0.94 HTT (0.78) HTTCYP3A4LMNAHSD17B10TP53
Hydrochloric Acid SCHEMBL30610402 0.91 HTT (0.74) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL9201457 0.90 HTT (1.00) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL10344722 0.86 HTT (0.69) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL24806440 0.84 HTT (0.67) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL7758793 0.83 HTT (0.76) HTTCYP3A4LMNAHSD17B10TP53
SCHEMBL29611420 0.83 HTT (0.76) HTTCYP3A4LMNAHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183732-A Adenine-type grain growth modifier EASTMAN KODAK COMPANY (US) 1993-02-02 US claimed
WO-2020160174-A1 USES OF COMPOUNDS HAVING ANTI-HSV-1 ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2020-08-06 WO disclosed
WO-2020160175-A1 QUINDOLINE COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-06 WO disclosed
WO-2020061367-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2020-03-26 WO disclosed
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO disclosed
EP-0517833-B2 REGENERATION AND GENETIC TRANSFORMATION OF SUGAR BEET BAYER BIOSCIENCE NV (BE) 2008-07-16 EP disclosed
EP-0577173-A1 High-chloride folded tabular grain emulsions and process for their preparation EASTMAN KODAK COMPANY (US) 1994-01-05 EP disclosed
EP-0534325-A1 Ultrathin high chloride tabular grain emulsions EASTMAN KODAK COMPANY (US) 1993-03-31 EP disclosed
US-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 HTT 3727/4885CYP3A4 3023/4885LMNA 3155/4885

“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.