SCHEMBL6458875

SCHEMBL6458875

COc1ccccc1-c1nnc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
EGFR P00533 1/20 0.49
NOTUM Q6P988 2/20 0.49
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
KMT2A Q03164 2/20 0.46
PSMB8 P28062 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7192264 0.85 HSD17B10 (0.48) HSD17B10TSHRHTTRAB9ASMN1; SMN2
SCHEMBL6461137 0.80 RAB9A (0.70) HSD17B10TSHRHTTRAB9ASMN1; SMN2
SCHEMBL6451390 0.80 ALDH1A1 (0.59) HSD17B10TSHRHTTRAB9ASMN1; SMN2
SCHEMBL1250042 0.78 ALDH1A1 (0.56) HSD17B10TSHRHTTRAB9ASMN1; SMN2
SCHEMBL6452396 0.78 NOTUM (0.54) HSD17B10HTTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL6450847 0.78 RAB9A (0.64) HSD17B10TSHRRAB9ASMN1; SMN2NPSR1
SCHEMBL11816106 0.78 RAB9A (0.72) HSD17B10TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6449133 0.76 KDM4E (0.66) HSD17B10TSHRRAB9ASMN1; SMN2L3MBTL1
SCHEMBL20533001 0.76 EGFR (0.52) HSD17B10TSHRHTTRAB9ASMN1; SMN2
SCHEMBL5338382 0.76 NPC1 (0.66) HSD17B10TSHRHTTRAB9ASMN1; SMN2

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC HSD17B10 205/4885TSHR 4398/4885HTT 1540/4885

“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.