Sugi Predict

Sugi Predict / Compounds / SCHEMBL641405

SCHEMBL641405

SCHEMBL641405

N=C(Cc1ccc(Cl)cc1)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL838150 0.80 CA2 (0.46) IDO1LMNAHDAC2HDAC8L3MBTL1
SCHEMBL1965925 0.80 IDO1 (0.45) IDO1LMNAMEN1KMT2AHTT
SCHEMBL2540337 0.79 HDAC1 (0.51) IDO1MEN1KMT2AHDAC3HDAC4
SCHEMBL480288 0.78 CYP3A4 (0.35) IDO1MEN1KMT2AHDAC8HDAC6
SCHEMBL1580990 0.78 IDO1 (0.44) IDO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23586287 0.78 ALDH1A1 (0.42) IDO1MEN1KMT2AHDAC8HDAC6
SCHEMBL836714 0.78 HTR3E (0.37) IDO1
SCHEMBL641565 0.78 GAA (0.46) IDO1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL836980 0.78 IDO1 (0.47) IDO1KMT2AHDAC4HDAC1HDAC7
SCHEMBL434982 0.77 HDAC8 (0.56) IDO1LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101932577-B Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2013-07-17 — — CN disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 — — US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 — — US disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 — — US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 — — EP disclosed
CN-101932577-A Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2010-12-29 — — CN disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 — — US disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 — — EP disclosed
US-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2004-02-19 — — US disclosed
EP-1339710-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES Amrad Operations Pty.,Ltd. (AU) 2003-09-03 — — EP disclosed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 — — US disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 — — US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 — — EP disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 — — WO disclosed
WO-2002036590-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2002-05-10 — — WO disclosed
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 — — EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 — — WO 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 (7 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 IDO1 721/4885LMNA 760/4885MEN1 2665/4885
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D IDO1 2989/4885LMNA 577/4885MEN1 1085/4885
US-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives CNR1, CNR2, OPRK1 IDO1 22/4885LMNA 3853/4885MEN1 4152/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT IDO1 821/4885LMNA 748/4885MEN1 2837/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT IDO1 721/4885LMNA 760/4885MEN1 2665/4885
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 IDO1 200/4885LMNA 1419/4885MEN1 3494/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 IDO1 2211/4885LMNA 217/4885MEN1 2121/4885

“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.