SCHEMBL2401012

SCHEMBL2401012

CNC(C)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
SLC6A4 P31645 4/20 0.41
HTR2A P28223 3/20 0.41
ACP3 P15309 1/20 0.41
CNR2 P34972 1/20 0.41
MC4R P32245 1/20 0.39
HSD11B1 P28845 4/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MPO P05164 1/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL12810174 1.00 P2RX7 (0.44) P2RX7SLC6A4HTR2AACP3CNR2
SCHEMBL15247598 0.84 P2RX7 (0.49) P2RX7ACP3CNR2MC4RHSD11B1
SCHEMBL26703695 0.83 SOS1 (0.48) P2RX7
Hydrochloric Acid SCHEMBL27240508 0.82 SOS1 (0.47) P2RX7
Hydrochloric Acid SCHEMBL27240504 0.82 SOS1 (0.47) P2RX7
Hydrochloric Acid SCHEMBL5718670 0.81 ACP3 (0.42) P2RX7ACP3CNR2MC4RHSD11B1
SCHEMBL11623835 0.80 CRHBP (0.37) P2RX7SLC6A4HTR2AACP3CNR2
SCHEMBL7719646 0.79 TDP1 (0.45) P2RX7ACP3CNR2ALDH1A1TDP1
SCHEMBL16322807 0.79 P2RX7 (0.38) P2RX7SLC6A4ACP3CNR2MC4R
SCHEMBL22383614 0.79 P2RX7 (0.38) P2RX7SLC6A4ACP3CNR2MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
EP-2358709-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2014-01-22 EP disclosed
US-8618137-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-31 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-09-15 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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 (4 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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO P2RX7 23/4885SLC6A4 4526/4885HTR2A 2741/4885
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS NOX1, XDH, CBR1 P2RX7 994/4885SLC6A4 3721/4885HTR2A 3556/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 P2RX7 862/4885SLC6A4 3548/4885HTR2A 3531/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 P2RX7 1856/4885SLC6A4 378/4885HTR2A 891/4885

“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.