SCHEMBL15746239

SCHEMBL15746239

CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)[nH]c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.60
KCNH2 Q12809 1/20 0.60
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TRPV1 Q8NER1 6/20 0.49
NPBWR1 P48145 1/20 0.49
HDAC6 Q9UBN7 2/20 0.49
SCD O00767 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL9058427 0.91 HDAC6 (0.62) SCN10AKCNH2ALDH1A1SMN1; SMN2TRPV1
SCHEMBL18462380 0.87 ALDH1A1 (0.52) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19521599 0.87 SMN1; SMN2 (0.52) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL846652 0.86 SCN10A (0.78) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26358087 0.86 HDAC6 (0.60) SCN10AKCNH2ALDH1A1SMN1; SMN2TRPV1
SCHEMBL18629758 0.84 TRPV1 (0.63) TRPV1NPBWR1HDAC6SCD
SCHEMBL2707923 0.83 ALDH1A1 (0.49) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19521623 0.82 ALDH1A1 (0.48) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22326618 0.82 SCN10A (0.55) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12250680 0.81 HDAC6 (0.61) SCN10AKCNH2TRPV1NPBWR1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-9125904-B1 Biphenyl imidazoles and related compounds useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 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 (4 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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD SCN10A 553/4885KCNH2 3306/4885ALDH1A1 588/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC SCN10A 4613/4885KCNH2 4324/4885ALDH1A1 1148/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 SCN10A 1737/4885KCNH2 3316/4885ALDH1A1 279/4885
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 SCN10A 1660/4885KCNH2 4114/4885ALDH1A1 464/4885

“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.