SCHEMBL5365684

SCHEMBL5365684

COC(=O)c1ccc(C(=O)c2cc([N+](=O)[O-])ccc2F)o1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 3/20 0.41
MITF O75030 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL5365803 0.90 ALDH1A1 (0.41) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL3241870 0.83 ALDH1A1 (0.40) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL194989 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL30062014 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL5371049 0.76 KMT2A (0.49) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL5365676 0.74 HTT (0.42) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL3240065 0.74 ALDH1A1 (0.38) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL1459233 0.74 ALDH1A1 (0.50) ALDH1A1MAPTLMNANPC1HTT
SCHEMBL3242146 0.74 ALDH1A1 (0.47) ALDH1A1MAPTHIF1AKMT2A
SCHEMBL1898380 0.74 SMN1; SMN2 (0.57) ALDH1A1MAPTNPC1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300950-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-11-27 US disclosed
EP-1608975-A1 SENSOR FOR DETECTING AN ANALYTE USING SILVER NANOPARTICLES THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2005-12-28 EP disclosed
US-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH. 2005-08-11 US disclosed
US-6897232-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-24 US disclosed
WO-2004086044-A1 SENSOR FOR DETECTING AN ANALYTE USING SILVER NANOPARTICLES THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2004-10-07 WO disclosed
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH 2003-06-05 US disclosed
US-6162819-A Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-19 US disclosed
CN-1214339-A Pyrazole derivatives, their preparation and their use in pharmaceuticals HOECHST MARION ROUSSEL DE GMBH (DE) 1999-04-21 CN 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-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3A, PDE3B, PDE5A ALDH1A1 977/4885MAPT 4369/4885LMNA 409/4885
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3B, PDE3A, PDE5A ALDH1A1 750/4885MAPT 4507/4885LMNA 976/4885

“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.