Sugi Predict

Sugi Predict / Compounds / SCHEMBL390358

SCHEMBL390358

SCHEMBL390358

O=C(O)C=Cc1csc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ HCAR2 Q8TDS4 4/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45
▸ HDAC5 Q9UQL6 2/20 0.45
▸ TNKS O95271 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ KDM4E B2RXH2 7/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43

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
SCHEMBL390357 1.00 AKR1C3 (0.47) AKR1C3AKR1C2HCAR2HDAC3HDAC4
SCHEMBL9756924 0.77 DAO (0.47) AKR1C3AKR1C2HCAR2HDAC3HDAC4
SCHEMBL4063251 0.77 DAO (0.47) AKR1C3AKR1C2HCAR2HDAC3HDAC4
SCHEMBL4063254 0.77 DAO (0.47) AKR1C3AKR1C2HCAR2HDAC3HDAC4
SCHEMBL9756926 0.77 DAO (0.47) AKR1C3AKR1C2HCAR2HDAC3HDAC4
SCHEMBL17159333 0.75 CA12 (0.53) CA12CA1CA2DPP4CA7
SCHEMBL22324522 0.75 CES2 (0.30) —
SCHEMBL9756825 0.73 DAO (0.51) AKR1C3HCAR2HDAC3HDAC4HDAC1
SCHEMBL9756823 0.73 DAO (0.51) AKR1C3HCAR2HDAC3HDAC4HDAC1
SCHEMBL8746677 0.71 HCAR2 (0.64) AKR1C3AKR1C2HCAR2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-10053456-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 — — US disclosed
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-14 — — US disclosed
US-9920047-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-20 — — US disclosed
US-9718814-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-01 — — US disclosed
US-9714241-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-25 — — US disclosed
EP-3129369-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2017-02-15 — — EP disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 — — US disclosed
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 — — US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 — — US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 — — US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 — — EP disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 — — EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 — — WO disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 — — WO disclosed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 — — US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 — — 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 (8 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 AKR1C3 1369/4885AKR1C2 590/4885HCAR2 3714/4885
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A AKR1C3 1369/4885AKR1C2 590/4885HCAR2 3714/4885
US-10053456-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A AKR1C3 1369/4885AKR1C2 590/4885HCAR2 3714/4885
US-20210179603-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A AKR1C3 1369/4885AKR1C2 590/4885HCAR2 3714/4885
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R AKR1C3 526/4885AKR1C2 618/4885HCAR2 140/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A AKR1C3 1369/4885AKR1C2 590/4885HCAR2 3714/4885
US-10414761-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A AKR1C3 1369/4885AKR1C2 590/4885HCAR2 3714/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R AKR1C3 537/4885AKR1C2 617/4885HCAR2 144/4885

“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.