SCHEMBL3176208

SCHEMBL3176208

CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 1/20 0.49
KDM1A O60341 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 3/20 0.46
HIF1A Q16665 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RHOA P61586 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL30080693 0.86 L3MBTL1 (0.75) L3MBTL1ALDH1A1HPGDTSHRHIF1A
SCHEMBL4935101 0.86 L3MBTL1 (0.75) L3MBTL1ALDH1A1HPGDTSHRHIF1A
SCHEMBL29084588 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1KMT2AHPGDCYP2C9
SCHEMBL30584232 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1KMT2AHPGDCYP2C9
SCHEMBL4936433 0.85 RXFP1 (0.57) L3MBTL1ALDH1A1KMT2AHPGDCYP2C9
SCHEMBL3167279 0.84 HPGD (0.57) L3MBTL1ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL4936465 0.83 L3MBTL1 (0.55) L3MBTL1ALDH1A1KMT2ACYP2C9TSHR
SCHEMBL1264254 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1HPGDCYP2C9TSHR
SCHEMBL922842 0.81 KDM4E (0.61) L3MBTL1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL30584235 0.81 KDM4E (0.61) L3MBTL1ALDH1A1HPGDSMN1; SMN2LMNA

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
CN-1656073-B Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases NOVARTIS AG 2010-05-26 CN disclosed
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
CN-100427483-C Anthranilic acid amide derivatives and their pharmaceutical use NOVARTIS AG (CH) 2008-10-22 CN disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use BOLD GUIDO 2006-06-15 US disclosed
CN-1720244-A Anthranilic acid amide derivatives and their pharmaceutical use NOVARTIS AG (CH) 2006-01-11 CN disclosed
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 EP disclosed
CN-1656073-A Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2005-08-17 CN disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 WO disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA L3MBTL1 2936/4885ALDH1A1 3040/4885KMT2A 1452/4885
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use AADAC, AADAT, NAAA L3MBTL1 4724/4885ALDH1A1 801/4885KMT2A 888/4885

“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.