SCHEMBL6158844

SCHEMBL6158844

N#CCc1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
KDM4E B2RXH2 4/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
GLS O94925 1/20 0.49

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
SCHEMBL3645465 0.83 KDM4E (0.62) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL109617 0.83 LTA4H (0.59) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL11941565 0.83 ALDH1A1 (0.77) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL3646083 0.83 KDM4E (0.62) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL248444 0.82 LTA4H (0.59) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL14578276 0.82 ALDH1A1 (0.69) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL4392983 0.82 KDM4E (0.59) KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL1898560 0.81 LTA4H (0.56) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL13096987 0.79 MCHR1 (0.68) LTA4HKDM4ETSHRTP53ALDH1A1
SCHEMBL4629303 0.79 KDM4E (0.67) LTA4HKDM4ETSHRTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 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 (3 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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 LTA4H 4293/4885KDM4E 4214/4885TSHR 4347/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 LTA4H 4208/4885KDM4E 4148/4885TSHR 4077/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 LTA4H 4293/4885KDM4E 4214/4885TSHR 4347/4885

“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.