SCHEMBL17973095

SCHEMBL17973095

Cc1nc2ccc3cc(Br)ccc3c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.54
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CSNK2A1 P68400 1/20 0.38
CASP3 P42574 1/20 0.38
EGFR P00533 1/20 0.37
PTGES O14684 1/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PIM3 Q86V86 1/20 0.36
ERN1 O75460 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2756731 0.83 CYP1A2 (0.44) TYMSBACE1ALDH1A1LMNAKDM4E
SCHEMBL16440333 0.80 ERN1 (0.41) TYMSBACE1ALDH1A1PTGESKDM4E
SCHEMBL17973094 0.80 TYMS (0.38) TYMSALDH1A1LMNARAB9AKDM4E
SCHEMBL15042999 0.80 LMNA (0.42) TYMSBACE1ALDH1A1CSNK2A1CASP3
SCHEMBL12327629 0.78 KIF11 (0.38) TYMSALDH1A1LMNARAB9AKDM4E
SCHEMBL15747148 0.78 TYMS (0.42) TYMSALDH1A1LMNARAB9AKDM4E
SCHEMBL21145874 0.76 BACE1 (0.37) TYMSBACE1ALDH1A1PTGESLMNA
SCHEMBL10644678 0.75 TYMS (0.60) TYMSALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL26693457 0.75 PTGES (0.51) ALDH1A1PTGESRAB9AKDM4EHSD17B10
SCHEMBL29959587 0.75 PTGES (0.51) ALDH1A1PTGESRAB9AKDM4EHSD17B10

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-20160222034-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2016-08-04 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-20160222034-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TYMS 2653/4885BACE1 3350/4885ALDH1A1 343/4885

“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.