SCHEMBL6461137

SCHEMBL6461137

Cc1ccccc1-c1nnc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 8/20 0.70
SMN1; SMN2 Q16637 7/20 0.70
CASP3 P42574 2/20 0.70
SENP8 Q96LD8 2/20 0.70
SENP7 Q9BQF6 2/20 0.70
SENP6 Q9GZR1 2/20 0.70
HPGD P15428 6/20 0.60
TSHR P16473 4/20 0.60
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
HSD17B10 Q99714 2/20 0.54
NOTUM Q6P988 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD11B1 P28845 2/20 0.51
HTT P42858 1/20 0.49
PSMB8 P28062 1/20 0.49
DCTPP1 Q9H773 2/20 0.47
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 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
SCHEMBL6450954 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL7756394 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL6452396 0.81 NOTUM (0.54) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL6449133 0.80 KDM4E (0.66) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL6458875 0.80 HSD17B10 (0.56) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL28628723 0.79 L3MBTL1 (0.56) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL23451551 0.78 NOTUM (0.54) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL21434730 0.78 NOTUM (0.54) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL5541462 0.78 HSD11B1 (0.55) ALDH1A1HSD17B10NOTUMHSD11B1MAPK1
SCHEMBL6449524 0.77 RAB9A (0.78) RAB9ANPC1SMN1; SMN2CASP3SENP8

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 RAB9A 2483/4885NPC1 59/4885SMN1; SMN2 4633/4885

“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.