SCHEMBL3096138

SCHEMBL3096138

O=C(Cl)c1cc2c(s1)CCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.70
ALDH1A1 P00352 14/20 0.65
CYP1A2 P05177 4/20 0.56
CYP2C19 P33261 4/20 0.56
POLB P06746 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
PKM P14618 2/20 0.56
CYP3A4 P08684 2/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 2/20 0.55
HPGD P15428 6/20 0.55
TP53 P04637 3/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
NR4A1 P22736 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL104715 0.96 ALDH1A1 (0.70) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL2954334 0.82 DAO (1.00) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL2462740 0.81 DAO (0.70) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL1068704 0.78 ALDH1A1 (1.00) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL2461710 0.77 ALDH1A1 (0.70) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL3743711 0.77 ALDH1A1 (0.96) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL13363464 0.77 ALDH1A1 (0.70) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL28870926 0.77 ALDH1A1 (0.96) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL28870929 0.77 ALDH1A1 (0.96) DAOALDH1A1CYP1A2CYP2C19POLB
SCHEMBL15407033 0.77 DAO (0.69) DAOALDH1A1CYP1A2CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 US disclosed
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 US disclosed
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 US disclosed
EP-2903969-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2015-08-12 EP disclosed
WO-2014053665-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-04-10 WO disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-5304657-A Insecticides ISHIHARA SANGYO KAISHA LTD. (JP) 1994-04-19 US disclosed
EP-0483647-A1 Hydrazine compounds or their salts, processes for producing them and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-05-06 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 (2 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-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses RPL35, EIF2AK2, POLRMT DAO 1900/4885ALDH1A1 3351/4885CYP1A2 2632/4885
US-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B DAO 4397/4885ALDH1A1 1303/4885CYP1A2 1392/4885

“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.