SCHEMBL4100130

SCHEMBL4100130

CCOC(=O)N1CCN(c2nc(-c3ccccc3Cl)nc3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.51
MEN1 O00255 9/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
ABCB1 P08183 1/20 0.45
PDGFRB P09619 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
ABCG2 Q9UNQ0 2/20 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
SCHEMBL4091440 0.87 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4093148 0.86 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4095953 0.85 MEN1 (0.67) KMT2AMEN1ALDH1A1MAPTABCB1
SCHEMBL4085061 0.85 MEN1 (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4100017 0.84 KMT2A (0.52) KMT2AMEN1MAPTABCB1ATM
SCHEMBL4095415 0.83 KMT2A (0.57) KMT2AMEN1MAPTABCB1ATM
SCHEMBL4098201 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4090724 0.82 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13984103 0.81 KMT2A (0.54) KMT2AMEN1MAPTABCB1ATM
SCHEMBL4090537 0.79 MEN1 (0.63) KMT2AMEN1ALDH1A1MAPTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 KMT2A 1424/4885MEN1 718/4885ALDH1A1 4857/4885

“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.