SCHEMBL15516835

SCHEMBL15516835

O=[N+]([O-])c1ccc2[nH]nc(OCCN3CCOCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.52
▸ CNR1 P21554 2/20 0.51
▸ MAPT P10636 4/20 0.48
▸ FLT3 P36888 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GRM4 Q14833 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL2924155 0.92 MAPT (0.48) CNR2CNR1MAPTFLT3SMN1; SMN2
SCHEMBL1415081 0.81 GRM4 (0.46) MAPTFLT3KMT2AGRM4ALDH1A1
SCHEMBL15521007 0.81 GRM4 (0.49) MAPTKMT2AGRM4ALDH1A1KDM4E
SCHEMBL3362693 0.78 MEN1 (0.56) CNR2CNR1KMT2AGRM4ALDH1A1
SCHEMBL2466571 0.75 MAPK1 (0.52) MAPTSMN1; SMN2KMT2AALDH1A1CYP2C9
SCHEMBL2928975 0.74 GRM4 (0.49) MAPTKMT2AGRM4ALDH1A1KDM4E
SCHEMBL519451 0.74 LTA4H (0.71) MAPTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL2717838 0.73 CYP1A2 (0.52) MAPTSMN1; SMN2KMT2AALDH1A1CYP2D6
SCHEMBL3944864 0.73 CTSB (0.60) MAPTSMN1; SMN2KMT2AALDH1A1CYP2D6
SCHEMBL15741625 0.73 POLB (0.55) MAPTSMN1; SMN2KMT2AALDH1A1CYP2D6

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-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 — — US disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 — — US disclosed
EP-2890693-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS Respivert Limited (GB) 2015-07-08 — — EP disclosed
WO-2014033448-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS RESPIVERT LIMTED (GB) 2014-03-06 — — WO 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-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS SYK, FYN, MAPK1 CNR2 2169/4885CNR1 2351/4885MAPT 1617/4885

“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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