SCHEMBL25899647

SCHEMBL25899647

Cc1cc(CC#N)cnc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
AR P10275 1/20 0.31
FLT3 P36888 2/20 0.30
MAP4K1 Q92918 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
MBOAT4 Q96T53 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
SCHEMBL24147886 0.83 CYP11B1 (0.39) CYP11B1CYP11B2TRPV1FLT3
SCHEMBL24147887 0.83 RXRA (0.34) CYP11B1CYP11B2TRPV1ARFLT3
SCHEMBL24147885 0.81 CYP11B1 (0.41) CYP11B1CYP11B2MAPTTRPV1AR
SCHEMBL16716586 0.78 KDM4E (0.36) NR1H2NR1H3AGBL2
SCHEMBL25826351 0.78 AR (0.35) CYP11B1CYP11B2HTTARMBOAT4
SCHEMBL22728415 0.77 NR1H2 (0.35) NR1H2NR1H3AGBL2
SCHEMBL335548 0.77 AGBL2 (0.37) NR1H2NR1H3AGBL2
SCHEMBL21503558 0.75 NPC1 (0.35) MAPTNR1H2NR1H3AGBL2LMNA
SCHEMBL3597363 0.75 POLB (0.34) CYP11B1CYP11B2ARFLT3MAP4K1
SCHEMBL21503556 0.74 NR1H2 (0.32) NR1H2NR1H3AGBL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230232710-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, an Organic Electronic Device Comprising a Compound of Formula (I) and a Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-07-20 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-20230232710-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, an Organic Electronic Device Comprising a Compound of Formula (I) and a Display Device Comprising the Organic Electronic Device AOX1, CYP2C19, CYP2C9 CYP11B1 88/4885CYP11B2 78/4885HTT 4762/4885

“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.