SCHEMBL2274582

SCHEMBL2274582

CC(N)=CC(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
HTT P42858 4/20 0.59
NPSR1 Q6W5P4 4/20 0.59
LMNA P02545 4/20 0.59
ATM Q13315 3/20 0.59
PKM P14618 2/20 0.59
HPGD P15428 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NLRP1 Q9C000 1/20 0.59
MEN1 O00255 1/20 0.59
NTSR1 P30989 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 8/20 0.52
THRB P10828 1/20 0.52
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
RAB9A P51151 7/20 0.46
NPC1 O15118 7/20 0.46
TP53 P04637 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
SCHEMBL2274580 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTNPSR1LMNA
SCHEMBL8844390 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTNPSR1LMNA
SCHEMBL3188566 0.82 ALDH1A1 (0.51) ALDH1A1HTTLMNAHPGDTDP1
SCHEMBL10378891 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTLMNAMEN1
SCHEMBL3188558 0.82 ALDH1A1 (0.51) ALDH1A1HTTLMNAHPGDTDP1
SCHEMBL2271314 0.82 MAPT (0.61) ALDH1A1SMN1; SMN2PKMHPGDTDP1
SCHEMBL2271311 0.82 MAPT (0.61) ALDH1A1SMN1; SMN2PKMHPGDTDP1
SCHEMBL10378889 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTLMNAMEN1
SCHEMBL15784370 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTNPSR1LMNA
SCHEMBL3187174 0.81 NFE2L2 (0.59) ALDH1A1SMN1; SMN2LMNAHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US disclosed
EP-0168037-B1 1-6-NAPHTHYRIDIN-2(1H)-ONES USEFUL AS CARDIOTONICS STERLING DRUG INC. (US) 1990-02-07 EP disclosed
EP-0168037-A2 1-6-Naphthyridin-2(1H)-ones useful as cardiotonics STERLING DRUG INC. (US) 1986-01-15 EP disclosed
US-4560691-A 5-(Phenyl)-1,6-naphthyridin-2(1H)-ones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1985-12-24 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 (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-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use RYR1, RYR2, CACNA1S ALDH1A1 542/4885SMN1; SMN2 2193/4885HTT 1573/4885
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 ALDH1A1 892/4885SMN1; SMN2 4868/4885HTT 4179/4885

“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.