SCHEMBL6904196

SCHEMBL6904196

C=CCc1nncc2nc3ccccc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
GLA P06280 2/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 5/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PTBP1 P26599 1/20 0.38
RCE1 Q9Y256 1/20 0.38
TLR8 Q9NR97 1/20 0.37
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
HTR3A P46098 1/20 0.33
MEN1 O00255 2/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL28327687 0.78 NPC1 (0.43) ALDH1A1MAPTKMT2ARAB9AKDM4E
Hydrochloric Acid SCHEMBL28426860 0.76 TP53 (0.45) ALDH1A1MAPTKMT2ARAB9AKDM4E
SCHEMBL988218 0.72 KMT2A (0.50) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL8213737 0.71 TLR8 (0.49) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL9006267 0.71 MAP4K4 (0.46) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL1115863 0.70 ALDH1A1 (0.49) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL27812919 0.70 ALDH1A1 (0.42) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL28237515 0.70 KMT2A (0.42) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL6535908 0.70 TLR8 (0.48) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL29034746 0.69 ALDH1A1 (0.42) ALDH1A1HPGDMAPTGLAACHE

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-6737424-B2 THERAPY FOR NERVOUS SYSTEM DISORDERS ZENECA LTD. (GB) 2004-05-18 US disclosed
US-20010007869-A1 ALPHA-SUBSTITTUTED PYRIDAZINO QUINOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2001-07-12 US disclosed
EP-0736531-A1 Alpha-substituted pyridazino quinoline compounds ZENECA LIMITED (GB) 1996-10-09 EP 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-20010007869-A1 ALPHA-SUBSTITTUTED PYRIDAZINO QUINOLINE COMPOUNDS CBR3, CHRNA1, CBR1 ALDH1A1 1307/4885HPGD 1548/4885MAPT 4556/4885

“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.