SCHEMBL17068289

SCHEMBL17068289

C/C=C/c1cc(/C=C/c2ccccc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.56
▸ KDM4E B2RXH2 7/20 0.51
▸ HPGD P15428 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ APP P05067 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ STAT3 P40763 1/20 0.46

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
SCHEMBL14342571 0.89 PTGS2 (0.68) PTGS2KDM4EHPGDLMNACYP1A2
SCHEMBL14342570 0.81 PTGS2 (0.46) PTGS2MAPTNFKB1RELAAPP
SCHEMBL14342572 0.80 PTGS2 (0.87) PTGS2KDM4EHPGDLMNACYP1A2
SCHEMBL1793302 0.80 PTGS2 (0.87) PTGS2KDM4EHPGDLMNACYP1A2
SCHEMBL1793300 0.80 PTGS2 (0.87) PTGS2KDM4EHPGDLMNACYP1A2
SCHEMBL1793303 0.80 PTGS2 (0.87) PTGS2KDM4EHPGDLMNACYP1A2
SCHEMBL27766349 0.75 KDM4E (0.54) PTGS2KDM4EHPGDLMNACYP1A2
SCHEMBL1790052 0.73 APP (0.88) PTGS2MAPTNFKB1RELAAPP
SCHEMBL1790054 0.73 APP (0.88) PTGS2MAPTNFKB1RELAAPP
SCHEMBL29799041 0.72 PTGS2 (0.65) PTGS2KDM4ELMNAALDH1A1RAB9A

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
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 — — US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 — — US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 — — US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 — — 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 (2 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-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT PTGS2 3267/4885KDM4E 4095/4885HPGD 1561/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT PTGS2 3267/4885KDM4E 4095/4885HPGD 1561/4885

“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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