SCHEMBL3575478

SCHEMBL3575478

O=C(O)N1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
MGLL Q99685 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL1863827 1.00 CYP1A2 (0.48) CYP1A2CYP2D6POLBMAPTCYP2C9
SCHEMBL23246845 0.92 POLB (0.48) CYP1A2CYP2D6POLBMAPTCYP2C9
SCHEMBL23246848 0.92 POLB (0.48) CYP1A2CYP2D6POLBMAPTCYP2C9
SCHEMBL6136613 0.92 CYP1A2 (0.50) CYP1A2CYP2D6POLBMAPTCYP2C9
SCHEMBL16823039 0.88 ALDH1A1 (0.49) CYP1A2CYP2D6POLBMAPTKMT2A
SCHEMBL16532712 0.88 ALDH1A1 (0.49) CYP1A2CYP2D6POLBMAPTKMT2A
SCHEMBL22735334 0.85 SLC6A2 (0.54) MAPTKMT2AMEN1ALDH1A1MGLL
SCHEMBL28070457 0.85 EPHX2 (0.53) CYP1A2CYP2D6POLBMAPTKMT2A
SCHEMBL4707629 0.85 SLC6A2 (0.54) MAPTKMT2AMEN1ALDH1A1MGLL
SCHEMBL28070456 0.85 EPHX2 (0.53) CYP1A2CYP2D6POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
EP-2109605-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2009-10-21 EP disclosed
WO-2008077885-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-03 WO disclosed
EP-0991654-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2005-06-15 EP disclosed
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 CYP1A2 111/4885CYP2D6 410/4885POLB 3544/4885

“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.