SCHEMBL16990010

SCHEMBL16990010

O=Cc1cc(Br)cc(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.65
MAOA P21397 8/20 0.65
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCND1 P24385 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
LCK P06239 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
SCHEMBL30823523 1.00 MAOB (0.65) MAOBMAOACCNB2CDK1CDK4
SCHEMBL578947 0.89 MAOB (0.75) MAOBMAOACCNB2CDK1CDK4
SCHEMBL1664699 0.89 MAOA (0.75) MAOBMAOACCNB2CDK1CDK4
SCHEMBL28772016 0.85 MAOB (0.57) MAOBMAOACYP1A2RAB9ANPC1
SCHEMBL29690200 0.85 MAOB (0.57) MAOBMAOACYP1A2RAB9ANPC1
SCHEMBL1853898 0.84 MAOB (0.69) MAOBMAOACCNB2CDK1CDK4
SCHEMBL3639311 0.84 NPC1 (0.66) MAOBMAOARAB9ANPC1TDP1
SCHEMBL308991 0.83 MAOB (0.72) MAOBMAOACYP1A2RAB9AMEN1
SCHEMBL10046165 0.83 MAOB (0.72) MAOBMAOACYP1A2RAB9AMEN1
SCHEMBL16406719 0.81 MAOB (0.65) MAOBMAOACCNB2CDK1CDK4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255762-A1 CBL-B INHIBITOR 上海齐鲁制药研究中心有限公司 2024-12-19 WO disclosed
WO-2024028604-A1 MORPHOLINE-3-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed
EP-3105228-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DIABETES AND OBESITY TAKEDA PHARMACEUTICALS CO (JP) 2018-09-26 EP disclosed
US-10023544-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-17 US disclosed
EP-3105228-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-12-21 EP disclosed
US-20160347724-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-01 US disclosed
CN-106170487-A Heterocyclic compounds 武田药品工业株式会社 2016-11-30 CN disclosed
US-9428470-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-30 US disclosed
WO-2015122188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 WO disclosed
US-20150225354-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 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 (3 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-20150225354-A1 HETEROCYCLIC COMPOUND MMP2, DPP4, TMPRSS15 MAOB 730/4885MAOA 514/4885CCNB2 2869/4885
US-20160347724-A1 HETEROCYCLIC COMPOUND MMP2, DPP4, TMPRSS15 MAOB 730/4885MAOA 514/4885CCNB2 2869/4885
US-10023544-B2 Heterocyclic compound MMP2, DPP4, TMPRSS15 MAOB 730/4885MAOA 514/4885CCNB2 2869/4885

“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.