SCHEMBL13800

SCHEMBL13800

O=c1nc2[nH]c3ccccc3c2cn1[C@H]1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.43
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CA5A P35218 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
CAMK2D Q13557 1/20 0.36

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
SCHEMBL7601 1.00 HTR6 (0.43) HTR6ROCK2ROCK1CA5AKDM4E
SCHEMBL13799 0.90 CA5A (0.41) CA5AKDM4ENPC1ALDH1A1TSHR
SCHEMBL7550 0.74 PDE5A (0.34) CA5AKDM4ENPC1ALDH1A1TSHR
SCHEMBL14077 0.73 SLC6A4 (0.47)
SCHEMBL12061561 0.72 SLC6A4 (0.43) CA5A
SCHEMBL12062415 0.72 CHRM1 (0.48) KDM4ENPC1ALDH1A1TSHRRAB9A
SCHEMBL13395617 0.71 CA5A (0.50) CA5AKDM4ENPC1ALDH1A1TSHR
SCHEMBL9284073 0.71 P2RX7 (0.45) HTR6KDM4ENPC1ALDH1A1TSHR
SCHEMBL14551 0.69 ADRA1D (0.52) HTR6ALDH1A1
SCHEMBL23841188 0.68 CA5A (0.43) CA5AKDM4ENPC1ALDH1A1TSHR

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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HTR6 4301/4885ROCK2 3307/4885ROCK1 2911/4885

“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.