SCHEMBL6401638

SCHEMBL6401638

O=C1CCC(c2cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c2)=NN1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
MAPT P10636 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAOB P27338 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 8/20 0.47
GRIK1 P39086 1/20 0.46
GRM5 P41594 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
SCHEMBL21969530 0.75 PDE3B (0.63) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21858396 0.75 KMT2A (0.74) MAPTNPC1RAB9AKMT2AATM
SCHEMBL31206271 0.75 KMT2A (0.74) MAPTNPC1RAB9AKMT2AATM
SCHEMBL10413428 0.75 PDE3B (0.48) MAPTNPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL1143011 0.74 ACHE (0.72) KDRMAPTNPC1RAB9AKMT2A
SCHEMBL6405008 0.72 MAOB (0.45) KDRMAPTKMT2AMEN1MAOB
SCHEMBL10472821 0.72 JAK2 (0.53) MAPTNPC1RAB9AKMT2AATM
SCHEMBL12870270 0.72 MAPT (0.53) KDRMAPTNPC1RAB9AKMT2A
SCHEMBL13568487 0.71 MAPT (0.53) KDRMAPTNPC1RAB9AKMT2A
SCHEMBL6199415 0.70 HTR2A (0.64) KDRMAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK KDR 2962/4885MAPT 2679/4885NPC1 3414/4885

“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.