SCHEMBL2624082

SCHEMBL2624082

Clc1nc2cccc(-c3nc(-c4ccccc4)cs3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 4/20 0.48
AR P10275 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
BRCA1 P38398 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 2/20 0.47
SREBF2 Q12772 1/20 0.46
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL2624081 0.84 ALDH1A1 (0.50) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL28522857 0.76 CYP19A1 (0.59) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL11454418 0.72 KMT2A (0.59) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL2624083 0.71 SREBF2 (0.46) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL2781370 0.71 KDM4E (0.85) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL23742623 0.71 RAB9A (0.63) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL28522962 0.70 CYP19A1 (0.66) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL11213828 0.69 SREBF2 (0.82) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL11212983 0.69 SREBF2 (0.82) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL11215130 0.69 SREBF2 (0.82) KDM4EKMT2AARALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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 (1 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 KDM4E 507/4885KMT2A 1601/4885AR 2910/4885

“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.