SCHEMBL9118575

SCHEMBL9118575

ClCCCCc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
PDE10A Q9Y233 3/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TRPV1 Q8NER1 5/20 0.42
CFTR P13569 1/20 0.42
MGAM O43451 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL10772707 0.98 CYP1A2 (0.44) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL11597016 0.91 CYP1A2 (0.50) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL28151161 0.89 CYP1A2 (0.48) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL3396692 0.85 CYP1A2 (0.55) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL30195937 0.85 MAOA (0.48) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL4817358 0.85 CYP1A2 (0.44) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL859430 0.85 TRPV1 (0.56) CYP1A2PDE10ATRPV1
SCHEMBL9467100 0.85 ALDH1A1 (0.46) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL8668667 0.85 CYP1A2 (0.44) CYP1A2PDGFRBPDGFRAPDE10AKDM1A
SCHEMBL4865405 0.85 MAOA (0.48) CYP1A2PDGFRBPDGFRAPDE10AKDM1A

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-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US disclosed
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 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-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 CYP1A2 198/4885PDGFRB 4002/4885PDGFRA 4266/4885

“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.