SCHEMBL362404

SCHEMBL362404

O=C(C=Cc1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.70
▸ ESR1 P03372 1/20 0.68
▸ ESR2 Q92731 1/20 0.68
▸ MAOB P27338 3/20 0.62
▸ MAPT P10636 4/20 0.60
▸ MAOA P21397 1/20 0.60
▸ CYP1A1 P04798 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2D6 P10635 1/20 0.56
▸ JUN P05412 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TLR9 Q9NR96 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL1390015 1.00 CYP1B1 (0.70) CYP1B1ESR1ESR2MAOBMAPT
SCHEMBL1390019 0.93 ESR1 (0.68) CYP1B1ESR1ESR2MAOBMAPT
SCHEMBL6934854 0.87 CYP1B1 (0.70) CYP1B1MAOBMAPTCYP1A1CYP1A2
SCHEMBL6934856 0.87 CYP1B1 (0.70) CYP1B1MAOBMAPTCYP1A1CYP1A2
SCHEMBL1659833 0.87 ESR1 (0.86) CYP1B1ESR1ESR2MAOBMAPT
SCHEMBL1659832 0.87 ESR1 (0.86) CYP1B1ESR1ESR2MAOBMAPT
SCHEMBL1603994 0.84 F3 (0.76) CYP1B1ESR1ESR2MAOBMAPT
SCHEMBL28700731 0.84 F3 (0.76) CYP1B1ESR1ESR2MAOBMAPT
SCHEMBL11402364 0.83 CYP1B1 (0.70) CYP1B1MAPTCYP1A1CYP1A2CYP2D6
SCHEMBL6934335 0.83 CYP1B1 (0.70) CYP1B1MAOBMAPTMAOACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 CYP1B1 84/4885ESR1 1231/4885ESR2 614/4885

“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.

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