SCHEMBL889033

SCHEMBL889033

Cc1ncc(CC(=O)O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.52
HRH1 P35367 1/20 0.52
FDPS P14324 1/20 0.49
ALDH1A1 P00352 3/20 0.46
GABRR1 P24046 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
GABRR2 P28476 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
PMP22 Q01453 1/20 0.44
AGBL2 Q5U5Z8 2/20 0.41
BAZ2B Q9UIF8 1/20 0.37
CYP2C19 P33261 2/20 0.35
GABRP O00591 1/20 0.35

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
SCHEMBL889024 0.82 HRH4 (0.55) HRH4HRH1FDPSHSD17B10P4HTM
SCHEMBL25145035 0.79 HRH4 (0.47) HRH4HRH1FDPSTSHRBAZ2B
SCHEMBL13187438 0.78 ALDH1A1 (0.47) ALDH1A1GABRR1GABRA1GABRA5GABRB2
SCHEMBL8225111 0.76 AOC3 (0.50) ALDH1A1GABRR1GABRA1GABRA5GABRB2
SCHEMBL1387583 0.76 ALDH1A1 (0.42) ALDH1A1GABRR1GABRA1GABRA5GABRB2
SCHEMBL8655436 0.75 TSHR (0.44) HRH4HRH1FDPSALDH1A1TSHR
SCHEMBL13141406 0.75 HRH4 (0.43) HRH4HRH1FDPSALDH1A1CYP3A4
SCHEMBL2708549 0.75 HRH4 (0.67) HRH4HRH1FDPSALDH1A1TSHR
Hydrochloric Acid SCHEMBL11468078 0.74 ALDH1A1 (0.43) ALDH1A1GABRR1GABRA1GABRA5GABRB2
Hydrochloric Acid SCHEMBL25237890 0.74 EGLN1 (0.49) HRH4HRH1FDPSALDH1A1GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 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-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 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 (11 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 HRH4 2004/4885HRH1 2955/4885FDPS 868/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HRH4 3315/4885HRH1 3693/4885FDPS 331/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HRH4 2004/4885HRH1 2955/4885FDPS 868/4885
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HRH4 3109/4885HRH1 3563/4885FDPS 240/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HRH4 3315/4885HRH1 3693/4885FDPS 331/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L HRH4 2091/4885HRH1 2889/4885FDPS 718/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HRH4 3315/4885HRH1 3693/4885FDPS 331/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HRH4 3109/4885HRH1 3563/4885FDPS 240/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HRH4 3109/4885HRH1 3563/4885FDPS 240/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HRH4 2004/4885HRH1 2955/4885FDPS 868/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HRH4 3109/4885HRH1 3563/4885FDPS 240/4885

“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.