SCHEMBL72200

SCHEMBL72200

COC(=O)c1ccc(-c2cccc(N)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.59
PLAU P00749 3/20 0.57
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 2/20 0.53
ERN1 O75460 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
MAOA P21397 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50

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
SCHEMBL2875365 0.88 CA12 (0.61) PLAUMAPTRAB9ANPC1CA12
SCHEMBL29441704 0.88 CA12 (0.61) PLAUMAPTRAB9ANPC1CA12
SCHEMBL28189889 0.88 EGFR (0.68) EGFRPLAUCA12CA1CA2
Hydrochloric Acid SCHEMBL6233341 0.87 CA12 (0.60) PLAUMAPTRAB9ANPC1CA12
SCHEMBL27589486 0.86 TSHR (0.64) EGFRPLAUMAPTRAB9ACA12
SCHEMBL68931 0.84 CA12 (0.69) EGFRPLAUCA12CA1CA2
SCHEMBL1660752 0.83 CA12 (0.68) EGFRPLAUCA12CA1CA2
SCHEMBL1505173 0.83 MECP2 (0.60) MAPTRAB9ANPC1TP53SMN1; SMN2
SCHEMBL5943746 0.83 LMNA (0.63) MAPTRAB9ANPC1CA12CA1
SCHEMBL3200407 0.83 GAA (0.51) EGFRPLAUMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103864750-A Derivative of N-biphenyl dichloroacetamide as well as preparation method and applications thereof UNIV TSINGHUA 2014-06-18 CN claimed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 EP disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
WO-2020142809-A1 METHOD OF TREATMENT AND DEVICE MONASH UNIVERSITY (AU) 2020-07-16 WO disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
US-6040311-A TREATING BONE DISORDERS FOR PREVENTING OSTEOPOROSIS OR INHIBITING BONE RESORPTION IN A MAMMAL; TREATING TUMOR GROWTH IN A MAMMAL MERCK & CO., INC. (US) 2000-03-21 US disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 WO disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
US-5599813-A ANTIANGIOGENIC AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-02-04 US disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed
EP-0618208-A1 Thiazolopyrimidine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-10-05 EP 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-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 EGFR 2893/4885PLAU 3943/4885MAPT 2680/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 EGFR 2893/4885PLAU 3943/4885MAPT 2680/4885

“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.