SCHEMBL6691295

SCHEMBL6691295

CNCC(O)c1cccnn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.43
KDM4E B2RXH2 4/20 0.43
BLM P54132 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HTR1A P08908 2/20 0.43
ALDH1A1 P00352 2/20 0.43
THPO P40225 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NMUR2 Q9GZQ4 1/20 0.43
CYP2C9 P11712 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ADRA2A P08913 6/20 0.42
ADRA2B P18089 6/20 0.42
ADRA2C P18825 6/20 0.42
ADRB1 P08588 5/20 0.42
ADRB3 P13945 4/20 0.42
ADRB2 P07550 3/20 0.42
ADRA1A P35348 3/20 0.42
TSHR P16473 2/20 0.42
DRD1 P21728 2/20 0.42

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
SCHEMBL25272308 0.82 ABCB1 (0.41) HIF1AKDM4EALDH1A1SMN1; SMN2ADRB1
SCHEMBL6323564 0.78 CYP2D6 (0.54) HIF1AKDM4EBLMTDP1HTR1A
SCHEMBL1205146 0.78 CYP2D6 (0.54) HIF1AKDM4EBLMTDP1HTR1A
SCHEMBL4055320 0.78 CYP2D6 (0.54) HIF1AKDM4EBLMTDP1HTR1A
SCHEMBL12495184 0.77 TAAR1 (0.41) HIF1AKDM4EBLMTDP1TAAR1
SCHEMBL6839728 0.77 P2RX7 (0.35) CYP1A2P2RX7
Hydrochloric Acid SCHEMBL6282414 0.76 CYP2D6 (0.52) HIF1AKDM4EBLMTDP1HTR1A
Hydrochloric Acid SCHEMBL6668150 0.76 CYP2D6 (0.52) HIF1AKDM4EBLMTDP1HTR1A
SCHEMBL25270869 0.76 KDM4E (0.46) KDM4EHTR1AALDH1A1ADRB2LMNA
SCHEMBL28595047 0.74 GOT1 (0.34) CYP1A2P2RX7

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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004022567-A1 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 HIF1A 2960/4885KDM4E 775/4885BLM 2510/4885

“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.