SCHEMBL380484

SCHEMBL380484

O=C(O)C=Cc1cc(Br)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
EIF2AK2 P19525 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
RAB9A P51151 1/20 0.42
KCNA3 P22001 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL380483 1.00 HCAR2 (0.48) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL4604993 0.85 NPC1 (0.40) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL4604987 0.85 NPC1 (0.40) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7890266 0.82 CES2 (0.41) HCAR2KMT2ANPC1GAAMEN1
SCHEMBL7890262 0.82 CES2 (0.41) HCAR2KMT2ANPC1GAAMEN1
SCHEMBL4389421 0.78 HCAR2 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL1463003 0.78 HCAR2 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL4389413 0.78 HCAR2 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL1463002 0.78 HCAR2 (0.47) HCAR2EIF2AK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL4081161 0.78 KCNA3 (0.46) HCAR2KMT2ANPC1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024573-A Epodophyllotoxin derivative, preparation method and application thereof in preparation of antitumor drugs 江苏百奥信康医药科技有限公司 2021-06-25 CN claimed
CN-113024573-B Epodophyllotoxin derivative, preparation method and application thereof in preparation of antitumor drugs 江苏百奥信康医药科技有限公司 2022-04-05 CN disclosed
CN-113024573-A Epodophyllotoxin derivative, preparation method and application thereof in preparation of antitumor drugs 江苏百奥信康医药科技有限公司 2021-06-25 CN disclosed
US-20210179603-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-06-17 US disclosed
US-10968213-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-06 US disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
US-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-10-17 US disclosed
US-10414761-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-17 US disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
EP-0170524-B1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 EP disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 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 (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-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A HCAR2 3714/4885EIF2AK2 4087/4885CSNK2A2 521/4885
US-20210179603-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A HCAR2 3714/4885EIF2AK2 4087/4885CSNK2A2 521/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 HCAR2 3172/4885EIF2AK2 2031/4885CSNK2A2 2037/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A HCAR2 3714/4885EIF2AK2 4087/4885CSNK2A2 521/4885
US-10414761-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A HCAR2 3714/4885EIF2AK2 4087/4885CSNK2A2 521/4885

“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.