SCHEMBL3575545

SCHEMBL3575545

O=C(O)N1CCC(Nc2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
PKM P14618 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
DDX3X O00571 1/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL3575546 1.00 KMT2A (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3575542 1.00 KMT2A (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL23887620 0.85 GAA (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL23887617 0.85 GAA (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL15584498 0.83 ALDH1A1 (0.50) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3579476 0.81 SPR (0.48) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL3579474 0.81 SPR (0.48) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL5244703 0.80 SPR (0.57) NPC1RAB9ASMN1; SMN2
SCHEMBL6111608 0.80 SPR (0.57) NPC1RAB9ASMN1; SMN2
SCHEMBL23360316 0.80 POLB (0.56) LMNAPOLB

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 2 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

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 KMT2A 3248/4885MEN1 303/4885PKM 1346/4885

“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.