SCHEMBL889018

SCHEMBL889018

CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(-c2ccc(I)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TSHR P16473 7/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 6/20 0.53
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.51
TP53 P04637 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.48
HSD11B1 P28845 1/20 0.48
POLB P06746 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47

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
SCHEMBL3296275 1.00 ALDH1A1 (0.57) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL13298120 1.00 ALDH1A1 (0.57) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL22361450 0.97 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL30867244 0.89 TSHR (0.60) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL12098306 0.89 KMT2A (0.61) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL12098303 0.89 KMT2A (0.61) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL4955786 0.89 ALDH1A1 (0.60) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL4955775 0.89 ALDH1A1 (0.60) ALDH1A1TSHRKMT2AMEN1L3MBTL1
Water SCHEMBL27907680 0.88 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL3300170 0.88 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AMEN1L3MBTL1

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-7741347-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
EP-2146984-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-01-27 EP disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 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 (5 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885TSHR 4648/4885KMT2A 1865/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885TSHR 4687/4885KMT2A 2957/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885TSHR 4648/4885KMT2A 1865/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885TSHR 4619/4885KMT2A 1492/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885KMT2A 4516/4885

“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.