SCHEMBL13047030

SCHEMBL13047030

Cc1ccc(Cl)cc1C(=O)Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SHMT2 P34897 1/20 0.42
MAPT P10636 2/20 0.42
TRPV4 Q9HBA0 2/20 0.42
DYRK1A Q13627 1/20 0.42
PDCD1 Q15116 1/20 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
SCHEMBL13046976 0.93 HTT (0.50) HTTALDH1A1POLBKDM4EHPGD
SCHEMBL13046927 0.91 POLB (0.45) HTTALDH1A1POLBKDM4ETSHR
SCHEMBL13046920 0.91 HTT (0.52) HTTALDH1A1KDM4EHPGDNPSR1
SCHEMBL13046916 0.89 HTT (0.61) HTTALDH1A1KDM4EHPGDNPSR1
SCHEMBL13046921 0.88 CCR8 (0.51) ALDH1A1KMT2AMEN1SHMT2MAPT
SCHEMBL13047039 0.87 SMN1; SMN2 (0.45) HTTALDH1A1POLBKDM4EHPGD
SCHEMBL13046975 0.86 RAB9A (0.49) HTTALDH1A1POLBHPGDTSHR
SCHEMBL13047029 0.86 HTT (0.44) HTTPOLBTSHRSHMT2TRPV4
SCHEMBL13046993 0.85 RXFP1 (0.45) HTTPOLBKMT2ASHMT2
SCHEMBL13046926 0.85 KMT2A (0.44) HTTALDH1A1POLBTSHRKMT2A

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 HTT 4422/4885ALDH1A1 3640/4885POLB 3676/4885

“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.