SCHEMBL4169404

SCHEMBL4169404

CCCOC(=O)c1cc(N)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
LMNA P02545 2/20 0.41

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
SCHEMBL13472450 0.87 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2GABRPGABRD
SCHEMBL792511 0.78 MAPK1 (0.42) ALDH1A1MAPTGABRPGABRDGABRA1
SCHEMBL162636 0.74 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2GABRPGABRD
SCHEMBL24414101 0.74 TDP1 (0.50) ALDH1A1MAPTLMNATSHRSLC6A2
SCHEMBL3712576 0.73 ESR1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL27283920 0.72 P2RX7 (0.49) ALDH1A1MAPTSMN1; SMN2GABRPGABRD
SCHEMBL3712655 0.72 ESR1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL18933123 0.71 CA2 (0.38) ALDH1A1MAPTSMN1; SMN2GABRPGABRD
SCHEMBL20267579 0.71 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2GABRPGABRD
SCHEMBL8406007 0.71 JMJD6 (0.59) ALDH1A1MAPTSMN1; SMN2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236841-B2 Fused heterocycle derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-07 US disclosed
US-20090239853-A1 Fused heterocycle derivative KYOWA KIRIN CO., LTD. (JP) 2009-09-24 US disclosed
EP-2070927-A1 FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-06-17 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-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 ALDH1A1 2211/4885MAPT 4727/4885SMN1; SMN2 3284/4885

“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.