SCHEMBL18122016

SCHEMBL18122016

Cc1cccc(-c2cnc(-c3ccccc3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.57
HSD17B2 P37059 4/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
KDR P35968 2/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
HPGDS O60760 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 4/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL18122013 0.95 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL28743533 0.86 NPC1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL185735 0.86 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL10013448 0.84 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9KDR
Bromide SCHEMBL11463626 0.84 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL186863 0.84 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL6508240 0.83 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL15090535 0.82 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL10013484 0.81 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9KDR
SCHEMBL3459364 0.81 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017136403-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2016-10-06 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 (2 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-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ZC3HAV1, HAVCR2, SLC10A1 HSD17B1 949/4885HSD17B2 2072/4885CYP3A4 429/4885
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 HSD17B1 982/4885HSD17B2 1718/4885CYP3A4 317/4885

“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.