SCHEMBL7996725

SCHEMBL7996725

Clc1ccc2c(N3CCNCC3)nsc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
TOP1 P11387 1/20 0.48
TOP2A P11388 1/20 0.48
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
HTR3E A5X5Y0 3/20 0.44
HTR3B O95264 3/20 0.44
HTR3A P46098 3/20 0.44
HTR3D Q70Z44 3/20 0.44
HTR3C Q8WXA8 3/20 0.44
MAT2A P31153 2/20 0.44
ADRB1 P08588 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTR2C P28335 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL5767071 0.82 KDM4E (0.62) KDM4EMAPTHTR2CHTR1AHTR2A
Hydrochloric Acid SCHEMBL29282529 0.81 KDM4E (0.65) KDM4EMAPTHTR2CHTR1AHTR2A
Hydrochloric Acid SCHEMBL30890993 0.81 KDM4E (0.65) KDM4EMAPTHTR2CHTR1AHTR2A
SCHEMBL8388116 0.79 KDM4E (0.58) KDM4EMAPTNCF1HTR3EHTR3B
Benzisothiazole-3-Yl-Piperazine SCHEMBL29432928 0.78 KDM4E (0.97) KDM4EMAPTHTR2CHTR1AHTR2A
Benzisothiazole-3-Yl-Piperazine SCHEMBL250876 0.78 KDM4E (0.97) KDM4EMAPTHTR2CHTR1AHTR2A
Benzisothiazole-3-Yl-Piperazine SCHEMBL1737330 0.77 KDM4E (1.00) KDM4EMAPTHTR2CHTR1AHTR2A
Benzisothiazole-3-Yl-Piperazine SCHEMBL9207008 0.77 KDM4E (0.94) KDM4EMAPTHTR2CHTR1AHTR2A
Benzisothiazole-3-Yl-Piperazine SCHEMBL9208072 0.77 KDM4E (1.00) KDM4EMAPTHTR2CHTR1AHTR2A
Benzisothiazole-3-Yl-Piperazine SCHEMBL7996950 0.77 KDM4E (1.00) KDM4EMAPTHTR2CHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5801186-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-09-01 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 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 (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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 KDM4E 725/4885MAPT 4505/4885TOP1 2618/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 KDM4E 723/4885MAPT 4265/4885TOP1 2522/4885

“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.