SCHEMBL5128732

SCHEMBL5128732

O=C(NCCc1ccccc1Cl)c1c(Cl)ccc2nc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.53
P2RX7 Q99572 7/20 0.48
RIPK1 Q13546 1/20 0.47
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
AKT3 Q9Y243 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
CNR1 P21554 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL5123868 0.83 P2RX7 (0.57) HIF1AP2RX7RIPK1TP53SMN1; SMN2
SCHEMBL5131712 0.80 P2RX7 (0.53) P2RX7
SCHEMBL5122789 0.78 P2RX7 (0.54) P2RX7
SCHEMBL5129388 0.76 TAAR1 (0.57) HIF1AP2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL5131999 0.76 P2RX7 (0.67) P2RX7
SCHEMBL5122822 0.75 MAPT (0.49) HIF1AP2RX7TP53NPC1
SCHEMBL5127835 0.75 P2RX7 (0.51) P2RX7PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3839490 0.74 P2RX7 (0.55) P2RX7NPC1RAB9A
SCHEMBL1180411 0.74 HIF1A (0.67) HIF1AP2RX7RIPK1TP53SMN1; SMN2
SCHEMBL5598218 0.73 HIF1A (0.85) HIF1AP2RX7RIPK1SMN1; SMN2NPC1

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-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 EP disclosed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 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-20080058293-A1 Quinoline Derivates and Their Use in Therapy NQO2, RECQL, CHRM1 HIF1A 1913/4885P2RX7 91/4885RIPK1 4220/4885

“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.