SCHEMBL6515244

SCHEMBL6515244

Cc1cc(C(F)(F)F)nc2c(C(N)=NO)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 8/20 0.40
HPGD P15428 6/20 0.36
HSD17B10 Q99714 5/20 0.36
MAPK1 P28482 2/20 0.36
TYK2 P29597 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL1007592 0.85 LMNA (0.53) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL1008028 0.85 LMNA (0.53) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL1008002 0.82 KDM4E (0.63) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL1008003 0.82 KDM4E (0.63) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL19436706 0.81 KDM4E (0.66) KDM4ENPC1RAB9ALMNAGAA
SCHEMBL1007294 0.80 LMNA (0.47) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL1007293 0.80 LMNA (0.47) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL1007003 0.79 HSD17B10 (0.51) KDM4ENPC1RAB9ALMNAGAA
SCHEMBL1007002 0.79 HSD17B10 (0.51) KDM4ENPC1RAB9ALMNAGAA
SCHEMBL21212754 0.75 HSP90AA1 (0.41) KDM4ELMNAMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 KDM4E 2469/4885NPC1 3032/4885RAB9A 3776/4885
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 KDM4E 2720/4885NPC1 3327/4885RAB9A 3262/4885

“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.