SCHEMBL13047041

SCHEMBL13047041

COc1ccc(C(=O)Nc2cccc3c(=O)n(CCN4CCOCC4)ccc23)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 2/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK14 Q16539 2/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
GAA P10253 1/20 0.45
BCL3 P20749 1/20 0.45
TNF P01375 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL13046641 0.91 KMT2A (0.49) ALDH1A1LMNAUSP2MAPK1MAPT
SCHEMBL13046974 0.90 ALDH1A1 (0.46) ALDH1A1LMNAUSP2MAPK1MAPT
SCHEMBL13047016 0.88 WDR5 (0.47) ALDH1A1LMNAUSP2MAPK1MAPK14
SCHEMBL13046975 0.87 RAB9A (0.49) ALDH1A1LMNAMAPTSMN1; SMN2MAPK14
SCHEMBL13047025 0.86 RAB9A (0.51) ALDH1A1LMNAMAPK1MAPTMAPK14
SCHEMBL13047261 0.86 RXFP1 (0.54) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL13046935 0.86 TSHR (0.55) ALDH1A1LMNAMAPTALOX15SMN1; SMN2
SCHEMBL13046936 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPOLBTSHR
SCHEMBL13046830 0.85 ALDH1A1 (0.44) ALDH1A1LMNAUSP2MAPK1MAPT
SCHEMBL13046632 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1SMN1; SMN2CYP2D6

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
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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 (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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885LMNA 1911/4885USP2 4733/4885

“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.