SCHEMBL5860729

SCHEMBL5860729

COc1ccc(C(F)Br)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA4 P22748 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
NFE2L2 Q16236 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL27685064 0.84 GAA (0.35) TUBB1MRGPRX4GAAMGAMSI
SCHEMBL3599329 0.80 MGAM (0.39) TUBB1MRGPRX4GAAMGAMSI
SCHEMBL27658885 0.80 TUBB1 (0.33) TUBB1MRGPRX4GAAMGAMSI
SCHEMBL27610584 0.80 ADRA2A (0.35) TUBB1GAAKDM4EMAPTMAPK1
SCHEMBL31063050 0.79 CA1 (0.43) TUBB1MRGPRX4GAAMGAMSI
SCHEMBL8244029 0.79 CA1 (0.43) TUBB1MRGPRX4GAAMGAMSI
SCHEMBL15682035 0.78 CA2 (0.47) TUBB1MRGPRX4CA1CA2CA7
Hydrochloric Acid SCHEMBL27666698 0.76 IDO1 (0.38) TUBB1GAAKDM4EMAPTNFE2L2
SCHEMBL27475051 0.74 MEP1B (0.34)
SCHEMBL27536491 0.73 ALDH1A1 (0.33) TUBB1MRGPRX4CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805954-B1 7-SUBSTITUTED HANFANGICHIN B DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO LTD (CN) 2019-06-19 EP disclosed
US-9328122-B2 7-substituted Hanfangichin B derivative, and preparation method and use thereof HANGZHOU BENSHENG PHARMACEUTICALS CO., LTD. (CN) 2016-05-03 US disclosed
CN-102781884-B Process for producing alpha-olefin oligomer MITSUBISHI CHEMICAL CORP. (JP) 2015-11-25 CN disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
CN-104926589-A Process for producing alpha-olefin oligomer MITSUBISHI CHEM CORP 2015-09-23 CN disclosed
CN-102869661-B Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2015-08-05 CN disclosed
US-20140357647-A1 7-SUBSTITUTED HANFANGICHIN B DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2014-12-04 US disclosed
CN-102112479-B Buprenorphine analogs PURDUE PHARMA L.P. (US) 2014-10-29 CN disclosed
CN-101801949-B Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2014-09-24 CN disclosed
CN-103450206-A Buprenorphine analogs PURDUE PHARMA LP 2013-12-18 CN disclosed
CN-1294577-A Potassium channel inhibitors ICAGEN INC (US) 2001-05-09 CN disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
CN-1046722-C Heterocyclic compounds and their preparation and use NOVO NORDISK AS (DK) 1999-11-24 CN disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 EP disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed
CN-1040979-C Antipsychotic method NOVO NORDISK AS (DK) 1998-12-02 CN disclosed
CN-1121349-A Heterocyclic compounds and their preparation and use NOVO NORDISK AS (DK) 1996-04-24 CN 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 (1 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-20140357647-A1 7-SUBSTITUTED HANFANGICHIN B DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF UGT2B7, CYP3A7, UGT1A7 TUBB1 1449/4885MRGPRX4 624/4885GAA 1411/4885

“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.