SCHEMBL4947643

SCHEMBL4947643

O=C(C=Cc1sccc1Cl)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MAPT P10636 6/20 0.51
CYP1B1 Q16678 3/20 0.51
PLIN1 O60240 1/20 0.51
LMNA P02545 1/20 0.51
BCHE P06276 1/20 0.51
TNFRSF1A P19438 1/20 0.51
ACHE P22303 1/20 0.51
RECQL P46063 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 3/20 0.46
RAB9A P51151 2/20 0.46
HSPD1 P10809 2/20 0.46
HSPE1 P61604 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL4946662 0.87 CYP1B1 (0.53) MAOBMAPTCYP1B1MAPK1HPGD
SCHEMBL9756815 0.81 HCAR2 (0.47) MAPTLMNAKMT2ACYP3A4PKM
SCHEMBL9756814 0.81 HCAR2 (0.47) MAPTLMNAKMT2ACYP3A4PKM
SCHEMBL4908405 0.73 MAPT (0.78) MAOBMAPTCYP1B1PLIN1LMNA
SCHEMBL30477506 0.73 MAPT (0.78) MAOBMAPTCYP1B1PLIN1LMNA
SCHEMBL979466 0.73 LMNA (0.62) MAOBMAPTCYP1B1PLIN1LMNA
SCHEMBL4908401 0.73 MAPT (0.78) MAOBMAPTCYP1B1PLIN1LMNA
SCHEMBL979467 0.73 LMNA (0.62) MAOBMAPTCYP1B1PLIN1LMNA
SCHEMBL11318820 0.73 MAPT (0.78) MAOBMAPTCYP1B1PLIN1LMNA
SCHEMBL8663226 0.71 ABCG2 (0.76) MAOBMAPTCYP1B1PLIN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435750-B2 Method of using 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) 2008-10-14 US disclosed
US-7041685-B2 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) 2006-05-09 US disclosed
US-20050154012-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. 2005-07-14 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-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
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 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 (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-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 MAOB 1181/4885MAPT 4724/4885CYP1B1 38/4885
US-20050154012-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, CASP4 MAOB 1470/4885MAPT 4660/4885CYP1B1 49/4885

“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.