SCHEMBL6864907

SCHEMBL6864907

O=C(N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
ALDH1A1 P00352 5/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 1/20 0.42
SIRT6 Q8N6T7 2/20 0.42
ADRB1 P08588 1/20 0.42
AKR1C3 P42330 1/20 0.41

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
SCHEMBL1749545 0.85 MAPT (0.59) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL5204166 0.85 MAPT (0.59) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL1749546 0.85 MAPT (0.59) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL1749646 0.84 MAPT (0.57) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL1749644 0.84 MAPT (0.57) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL3551387 0.84 MAPT (0.57) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL7815260 0.83 ALDH1A1 (0.49) MAPTALDH1A1HTTPOLBLMNA
Hydrochloric Acid SCHEMBL5201475 0.82 MAPT (0.56) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL3702193 0.80 MAPT (0.56) MAPTALDH1A1ALOX12HTTMAPK1
SCHEMBL6324152 0.80 MAPT (0.50) MAPTALDH1A1ALOX12HTTMAPK1

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
EP-1404338-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES Aventis Pharma Deutschland GmbH (DE) 2004-04-07 EP disclosed
US-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes HERLING ANDREAS (DE) 2003-09-18 US disclosed
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
WO-2002092093-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 WO disclosed
EP-1258247-A1 Adenosine analogues for the treatment of insulin resistance syndrome and diabetes Aventis Pharma Deutschland GmbH (DE) 2002-11-20 EP 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
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed
EP-0912520-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1999-10-06 EP disclosed
EP-0912520-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998001426-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-15 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 (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-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes IAPP, GPR119, INSR MAPT 3978/4885ALDH1A1 1392/4885ALOX12 672/4885
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties HMGCR, TGFB1, APOB MAPT 3869/4885ALDH1A1 388/4885ALOX12 286/4885

“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.