SCHEMBL20920985

SCHEMBL20920985

CCC(C)(C)c1cccnc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK3 P52333 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
PLCG1 P19174 1/20 0.30
P2RY1 P47900 1/20 0.30
CA2 P00918 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL18467354 0.85 TLR8 (0.32) TDP1LMNAHTTNPSR1KDM4E
SCHEMBL231343 0.81 CA2 (0.41) TDP1LMNAHTTNPSR1KDM4E
SCHEMBL21150744 0.80 TDP1 (0.35) TDP1LMNAHTTNPSR1KDM4E
Ammonia Solution, Strong SCHEMBL28823003 0.79 CA2 (0.39) TDP1LMNAHTTNPSR1KDM4E
SCHEMBL19040928 0.78 P2RX7 (0.37) TDP1HTTNPSR1KDM4EKMT2A
SCHEMBL20031355 0.78 SSTR4 (0.42) ALDH1A1SSTR4
SCHEMBL20686388 0.77 NOS2 (0.45) TDP1HTTKDM4EALDH1A1KMT2A
SCHEMBL1132774 0.77 TDP1 (0.35) TDP1HTTNPSR1ALDH1A1KMT2A
SCHEMBL22023658 0.77 NAPRT (0.36) TDP1NPSR1ALDH1A1KMT2AHRH3
SCHEMBL18745368 0.77 TDP1 (0.38) TDP1HTTNPSR1KDM4EALDH1A1

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
US-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2020-05-07 US disclosed
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-23 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 (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-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 TDP1 4042/4885LMNA 4813/4885HTT 810/4885
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof XDH, ABCG2, SLC7A1 TDP1 931/4885LMNA 2343/4885HTT 1666/4885

“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.