SCHEMBL5372386

SCHEMBL5372386

O=C(Cl)C1(c2ccc([N+](=O)[O-])cc2)CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
MAPT P10636 1/20 0.57
HTR1E P28566 1/20 0.57
S1PR3 Q99500 1/20 0.57
MEN1 O00255 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 1/20 0.49
SIGMAR1 Q99720 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CES1 P23141 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5369238 0.97 NPSR1 (0.53) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL5366626 0.93 ALDH1A1 (0.52) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL3900070 0.85 AKR1C1 (0.59) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL2815457 0.83 NPSR1 (0.57) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL3224174 0.81 NPSR1 (0.55) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL17109512 0.80 NPSR1 (0.53) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL8097387 0.78 ALDH1A1 (0.50) NPSR1MAPTMEN1CYP1A2CYP2C19
SCHEMBL1769201 0.77 NPSR1 (0.50) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL1627734 0.77 HDAC4 (0.66) NPSR1MAPTLMNAALDH1A1HDAC1
SCHEMBL3227451 0.76 MEN1 (0.58) NPSR1MAPTHTR1ES1PR3MEN1

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-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 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-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 NPSR1 175/4885MAPT 4800/4885HTR1E 261/4885

“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.