SCHEMBL6812604

SCHEMBL6812604

[CH2]c1cccc(Oc2cc(Cl)ccc2C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
PGGT1B P53609 3/20 0.47
AR P10275 6/20 0.47
CYP19A1 P11511 2/20 0.46
SLC6A4 P31645 3/20 0.43
KCNH2 Q12809 2/20 0.43
HTR2A P28223 1/20 0.43
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
NOS2 P35228 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL6812607 0.82 AR (0.63) FNTAFNTBPGGT1BARCYP19A1
SCHEMBL7075721 0.81 AR (0.49) FNTAFNTBPGGT1BARCYP19A1
SCHEMBL5339506 0.79 SMN1; SMN2 (0.46) FNTAFNTBPGGT1BARCYP19A1
SCHEMBL5338713 0.79 FNTA (0.50) FNTAFNTBPGGT1BARCYP19A1
Hydrochloric Acid SCHEMBL5345494 0.78 FNTA (0.49) FNTAFNTBPGGT1BARCYP19A1
SCHEMBL5357366 0.77 SLC6A4 (0.56) FNTAFNTBPGGT1BSLC6A4KCNH2
SCHEMBL7984102 0.77 AR (0.56) FNTAFNTBPGGT1BARCYP19A1
SCHEMBL5542355 0.76 MRGPRX4 (0.59) SLC6A4KCNH2HTR2ASLC6A2ALDH1A1
SCHEMBL10793884 0.76 FNTA (0.48) FNTAFNTBPGGT1BARCYP19A1
SCHEMBL5348856 0.76 SLC6A4 (0.49) FNTAFNTBPGGT1BARCYP19A1

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-20040260088-A1 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines ASTRAZENECA AB (SE) 2004-12-23 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 (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-20040260088-A1 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines NOS1, NOS3, NOS2 FNTA 3780/4885FNTB 2004/4885PGGT1B 2692/4885

“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.