SCHEMBL10310076

SCHEMBL10310076

CCc1c(C)cccc1NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL16938171 0.86 MAPT (0.41) MAPTHTTALDH1A1TDP1L3MBTL1
SCHEMBL12203602 0.83 TSHR (0.39) MAPTHTTCYP3A4CYP1A2CYP2D6
SCHEMBL10561697 0.81 MAPT (0.39) MAPTHTTCYP3A4CYP1A2CYP2D6
SCHEMBL21257666 0.81 AOC1 (0.44) MAPTHTTCYP3A4CYP1A2CYP2D6
SCHEMBL19122441 0.81 MAPT (0.43) MAPTHTTCYP3A4CYP1A2CYP2D6
SCHEMBL24947728 0.81 TAAR1 (0.39) HTTALDH1A1KDM4EPOLBNPSR1
SCHEMBL19006788 0.80 KCNH2 (0.40) MAPTHTTPTGS2ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL9730743 0.79 MAPT (0.42) MAPTHTTCYP3A4CYP1A2CYP2D6
SCHEMBL9065360 0.79 MAPT (0.40) MAPTHTTCYP3A4CYP1A2CYP2D6
SCHEMBL5436495 0.78 KCNH2 (0.46) MAPTCYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3025584-B1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL CO (JP) 2018-02-28 EP disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 MAPT 3490/4885HTT 4421/4885CYP3A4 106/4885

“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.