SCHEMBL3249365

SCHEMBL3249365

O=C([CH]c1cccc2ccccc12)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
CYP1A2 P05177 8/20 0.52
CYP1A1 P04798 7/20 0.52
CYP1B1 Q16678 7/20 0.52
CYP2D6 P10635 6/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
NPY1R P25929 1/20 0.52
MAPK1 P28482 1/20 0.52
NPY2R P49146 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 5/20 0.52
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TBXAS1 P24557 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 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
SCHEMBL3245844 0.82 CYP1A2 (0.54) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL8646793 0.79 ATM (0.57) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL8646796 0.79 ATM (0.57) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL10689718 0.77 ALDH1A1 (0.61) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL10771685 0.75 ATM (0.56) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL3251236 0.74 CYP1A1 (0.71) CYP1A2CYP1A1CYP1B1CYP2D6ALDH1A1
SCHEMBL15395615 0.72 PLOD2 (0.65) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL16105323 0.71 ALDH1A1 (0.54) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL3164380 0.71 ALDH1A1 (0.54) ATMCYP1A2CYP1A1CYP1B1CYP2D6
SCHEMBL28677805 0.71 ALDH1A1 (0.78) ATMCYP1A2CYP2D6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ATM 225/4885CYP1A2 1561/4885CYP1A1 699/4885

“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.