SCHEMBL6972893

SCHEMBL6972893

O=C(N[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
ENPP2 Q13822 2/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7815262 0.83 CYP2C9 (0.38) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL7815260 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL14328884 0.81 PIM1 (0.56) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL13495900 0.81 PIM1 (0.56) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL6864907 0.79 MAPT (0.51) ALDH1A1LMNAMAPTCYP2C9CYP2C19
SCHEMBL13736896 0.79 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL15913324 0.79 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL14206762 0.77 LMNA (0.53) ALDH1A1LMNAENPP2MAPTKMT2A
SCHEMBL14206405 0.77 LMNA (0.53) ALDH1A1LMNAENPP2MAPTKMT2A
SCHEMBL5092054 0.77 MAPT (0.55) ALDH1A1LMNAMAPTKMT2AMEN1

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
EP-0912520-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2003-05-07 EP disclosed
US-6559313-B2 Adenosine derivatives such as (1S,2R,3S,4R)-2,3-dihydroxy-4-(6-(1-(4-trifluormethylpyridin-2-yl)pyrrolidin-3(S)-yl-amino)purin-9-yl)cyclopentanecarboxylic acid isopropylamide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-06 US disclosed
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-25 US disclosed
US-6376472-B1 N6-SUBSTITUTED ADENOSINES AVENTIS PHARMACEUTICALS, INC. 2002-04-23 US 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-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties HMGCR, TGFB1, APOB ALDH1A1 388/4885LMNA 260/4885ENPP2 867/4885

“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.