SCHEMBL5815364

SCHEMBL5815364

Clc1ccc(Cl)c(-c2nnn[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
IDO1 P14902 5/20 0.42
HTR2B P41595 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 2/20 0.40
CXCR2 P25025 1/20 0.38
TP53 P04637 1/20 0.37
HSD17B2 P37059 1/20 0.36
PIM1 P11309 1/20 0.35
PTPN11 Q06124 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGM2 P21980 1/20 0.34
CES1 P23141 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL705941 0.85 HSD11B1 (0.44) ALDH1A1MAPTCXCR2TP53HPGD
SCHEMBL5676619 0.84 LMNA (0.40) ALDH1A1RXFP1IDO1PIM1TGM2
SCHEMBL24690273 0.82 CYP3A4 (0.41) ALDH1A1RXFP1HTR2BPDE4DMAPT
SCHEMBL1463479 0.82 IDO1 (0.57) ALDH1A1RXFP1IDO1HTR2BPDE4D
SCHEMBL1197908 0.79 NOTUM (0.45) IDO1MAPTHPGD
SCHEMBL3416087 0.79 IDO1 (0.32) IDO1CXCR2PIM1
SCHEMBL1308358 0.79 IDO1 (0.41) ALDH1A1IDO1TP53HPGDSMN1; SMN2
SCHEMBL8103412 0.79 NPBWR1 (0.40) IDO1PIM1HPGDSMN1; SMN2
SCHEMBL24416907 0.78 TDP1 (0.44) ALDH1A1IDO1MAPTPIM1TGM2
SCHEMBL13259099 0.78 ALDH1A1 (0.36) ALDH1A1RXFP1HTR2BMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US disclosed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 WO 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-20060211739-A1 Use of selective P2X7 receptor antagonists P2RX1, P2RX3, P2RX7 ALDH1A1 810/4885RXFP1 82/4885IDO1 1534/4885

“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.