SCHEMBL5370966

SCHEMBL5370966

O=C(Cl)C1(c2ccccc2[N+](=O)[O-])CCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.39
GPR35 Q9HC97 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSD P07339 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL5366796 0.95 ALDH1A1 (0.41) ALDH1A1MAPK1GPR35TSHRMEN1
SCHEMBL5368690 0.85 AKR1C1 (0.49) ALDH1A1MAPK1GPR35LMNATSHR
SCHEMBL9125609 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1GPR35MEN1KMT2A
SCHEMBL5369495 0.80 AKR1C1 (0.46) ALDH1A1MAPK1GPR35TSHRMEN1
SCHEMBL30937544 0.80 AKR1C1 (0.46) ALDH1A1MAPK1GPR35TSHRMEN1
SCHEMBL17241250 0.75 ALDH1A1 (0.47) ALDH1A1MAPK1GPR35TSHRTDP1
SCHEMBL30937736 0.75 NPSR1 (0.49) ALDH1A1MAPK1LMNATSHRMEN1
SCHEMBL632435 0.73 LMNA (0.43) ALDH1A1GPR35LMNATSHRMEN1
SCHEMBL8104865 0.73 HDAC4 (0.44) LMNAMEN1KMT2ATDP1
SCHEMBL5369238 0.72 NPSR1 (0.53) ALDH1A1MAPK1LMNATSHRMEN1

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 ALDH1A1 354/4885MAPK1 1073/4885GPR35 647/4885

“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.