SCHEMBL6405340

SCHEMBL6405340

COc1ccccc1-n1c(S)nnc1-c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
APLNR P35414 4/20 0.57
AVPR2 P30518 1/20 0.53
AVPR1A P37288 1/20 0.53
HTT P42858 1/20 0.47
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GLA P06280 2/20 0.43
TACR3 P29371 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL20514201 0.86 APLNR (0.73) APLNR
SCHEMBL18559219 0.81 TDP1 (0.51) ALDH1A1SMN1; SMN2TSHRGAAHSD17B10
SCHEMBL17295000 0.80 AVPR2 (0.60) ALDH1A1SMN1; SMN2AVPR2AVPR1ADRD2
SCHEMBL6407017 0.78 MEN1 (0.60) ALDH1A1SMN1; SMN2APLNRTSHRKDM4E
SCHEMBL10432252 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2APLNRAVPR1AHTT
SCHEMBL18254537 0.75 APLNR (0.76) APLNR
SCHEMBL931766 0.74 TSHR (0.53) ALDH1A1AVPR2AVPR1ATSHRHPGD
SCHEMBL6405947 0.73 DRD2 (0.53) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL18246050 0.73 APLNR (0.73) APLNR
SCHEMBL17295029 0.73 APLNR (0.56) ALDH1A1APLNRAVPR2AVPR1ATSHR

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885SMN1; SMN2 4793/4885APLNR 4836/4885

“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.