SCHEMBL2317853

SCHEMBL2317853

COc1cc(Br)c2ncc(I)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
CYP1A1 P04798 4/20 0.33
CYP1B1 Q16678 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2A7 P20853 1/20 0.33

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
SCHEMBL19783646 0.85 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1PRNPRXFP1
SCHEMBL2320914 0.81 NPC1 (0.34) ALDH1A1MAPTNPC1RAB9ACYP1A1
SCHEMBL19783129 0.79 CYP11B1 (0.40) ALDH1A1MAPTNPSR1PRNPRXFP1
Hydrochloric Acid SCHEMBL28941261 0.78 CYP11B1 (0.39) ALDH1A1MAPTNPSR1PRNPRXFP1
SCHEMBL19776271 0.76 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1PRNPRXFP1
SCHEMBL19776334 0.76 MAPT (0.39) ALDH1A1MAPTNPSR1PRNPRXFP1
SCHEMBL2319227 0.75 LMNA (0.33) NPSR1PRNPNQO2HPGD
SCHEMBL19776056 0.75 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1PRNPRXFP1
SCHEMBL23796376 0.74 KDM4E (0.49) KDM4E
SCHEMBL23795961 0.73 PSMD14 (0.50) ALDH1A1MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440595-B2 Fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-05-14 US disclosed
EP-2185519-B1 NOVEL FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-10 EP disclosed
US-20100286199-A1 NOVEL FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-11 US disclosed
CN-101815703-A Novel fungicides SYNGENTA PARTICIPATIONS AG 2010-08-25 CN disclosed
EP-2185519-A2 NOVEL FUNGICIDES Sygenta Participations AG. (CH) 2010-05-19 EP disclosed
WO-2009049716-A2 NOVEL FUNGICIDES SYGENTA PARTICIPATIONS AG (CH) 2009-04-23 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-20100286199-A1 NOVEL FUNGICIDES CYP51A1, CYP4X1, CYP1B1 ALDH1A1 262/4885MAPT 4059/4885NPSR1 3258/4885

“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.