SCHEMBL1666802

SCHEMBL1666802

CC1(C)COc2cc(F)ccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
ABL1 P00519 1/20 0.40
NR2F2 P24468 1/20 0.39
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
TDP2 O95551 1/20 0.37
FASN P49327 2/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PIK3CD O00329 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
SCHEMBL1948810 0.89 NR2F2 (0.41) AKR1C3AKR1C2NR2F2AVPR2AVPR1A
SCHEMBL4521246 0.81 AKR1C3 (0.44) AKR1C3AKR1C2NR2F2NPC1MAPT
SCHEMBL4529286 0.78 NPC1 (0.42) AKR1C3AKR1C2NR2F2NPC1MAPT
SCHEMBL2202393 0.76 KDM4E (0.49) NR2F2MAPTPDGFRBPDGFRAPIK3CD
SCHEMBL4523539 0.74 AKR1C3 (0.41) AKR1C3AKR1C2NR2F2NPC1MAPT
SCHEMBL29919674 0.74 AKR1C3 (0.45) AKR1C3AKR1C2NR2F2TDP2FASN
SCHEMBL4410968 0.74 AKR1C3 (0.45) AKR1C3AKR1C2NR2F2TDP2FASN
SCHEMBL4510188 0.74 NR2F2 (0.43) AKR1C3AKR1C2NR2F2NPC1MAPT
SCHEMBL4510805 0.74 NR2F2 (0.43) AKR1C3AKR1C2NR2F2NPC1MAPT
SCHEMBL4523245 0.74 AKR1C3 (0.40) AKR1C3AKR1C2NR2F2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 US disclosed
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 EP 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 AKR1C3 80/4885AKR1C2 335/4885ABL1 429/4885

“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.