Sugi Predict

Sugi Predict / Compounds / SCHEMBL5871935

SCHEMBL5871935

SCHEMBL5871935

COc1ccc(CCBr)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NNMT P40261 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39
▸ TUBA1C Q9BQE3 1/20 0.39
▸ TUBB6 Q9BUF5 1/20 0.39
▸ TUBB2B Q9BVA1 1/20 0.39
▸ TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL16444063 0.89 CASP3 (0.41) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL129502 0.84 KDM1A (0.43) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL30038718 0.84 KDM1A (0.43) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL18397128 0.83 MAPT (0.46) DAOKDM4EMAPTNPC1
SCHEMBL12649387 0.82 CASP3 (0.44) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL16797049 0.81 MEN1 (0.45) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL22660652 0.81 KDM1A (0.41) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL30384815 0.81 KDM1A (0.41) KDM1AMAOAMAOBNNMTCYP11B1
SCHEMBL31666977 0.81 TAAR1 (0.52) KDM1AMAOAMAOBNNMTCYP2A6
SCHEMBL27639119 0.81 KDM1A (0.41) KDM1AMAOAMAOBNNMTCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103687849-A (-) -huperzine A methods and related compositions and methods of treatment UNIV YALE 2014-03-26 — — CN claimed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 — — US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 — — US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 — — US disclosed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 — — EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 — — WO disclosed
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 — — US disclosed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 — — EP disclosed
CN-104151240-A Preparation method of intermediate for synthesizing huperzine A SU ZHOU JING HONG BIOTECH CO LTD 2014-11-19 — — CN disclosed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 — — US disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 — — US disclosed
CN-1656109-A Non-nucleoside reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2005-08-17 — — CN disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 — — CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 — — EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 — — US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 — — US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 — — US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 — — US disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 — — CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 — — 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 (6 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT KDM1A 4555/4885MAOA 1423/4885MAOB 863/4885
US-20020019531-A1 Indoles INMT, MUSK, MB KDM1A 676/4885MAOA 417/4885MAOB 216/4885
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases MAPT, PSEN1, PSEN2 KDM1A 3178/4885MAOA 878/4885MAOB 1168/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT KDM1A 4558/4885MAOA 1602/4885MAOB 1013/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT KDM1A 4555/4885MAOA 1423/4885MAOB 863/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 KDM1A 841/4885MAOA 624/4885MAOB 333/4885

“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.