SCHEMBL3357713

SCHEMBL3357713

C=CCN1CCCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CHRM2 P08172 5/20 0.50
CHRM4 P08173 5/20 0.50
CHRM1 P11229 5/20 0.50
CHRM3 P20309 5/20 0.50
USP2 O75604 2/20 0.49
CDK4 P11802 1/20 0.49
ALOX15 P16050 1/20 0.49
CCND1 P24385 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TSHR P16473 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GAA P10253 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4631036 0.95 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL30678342 0.95 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL4632488 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1USP2CDK4
SCHEMBL29516976 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1USP2CDK4
Ammonia Solution, Strong SCHEMBL28873729 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1USP2CDK4
SCHEMBL662301 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL4785056 0.78 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL5970702 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL19949789 0.78 ADRA1D (0.42) ALDH1A1KMT2AMEN1USP2CDK4
SCHEMBL12626929 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 US disclosed
EP-2144908-A1 2, 6-NAPHTHYRIDINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis Ag (CH) 2010-01-20 EP disclosed
WO-2008122614-A1 2, 6-NAPHTHYRIDINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2008-10-16 WO disclosed
EP-1859802-A2 Compositions comprising benzo(G)quinoline derivates and prostaglandin derivates Novartis AG (CH) 2007-11-28 EP disclosed
US-20070093507-A1 Compositions comprising benzo (g) quinoline derivatives and prostaglandin derivatives LAMBROU GEORGE N 2007-04-26 US disclosed
EP-1663230-A1 COMPOSITIONS COMPRISING BENZO(G)QUINOLINE DERIVATIVES AND PROSTAGLANDIN DERIVATIVES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005023258-A1 COMPOSITIONS COMPRISING BENZO (G) QUINOLINE DERIVATIVES AND PROSTAGLANDIN DERIVATIVES NOVARTIS AG (CH) 2005-03-17 WO disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 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-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 ALDH1A1 3883/4885KMT2A 1437/4885MEN1 1566/4885
US-20070093507-A1 Compositions comprising benzo (g) quinoline derivatives and prostaglandin derivatives PTGIS, PTGES, PTGS2 ALDH1A1 1871/4885KMT2A 3698/4885MEN1 3758/4885

“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.