SCHEMBL2194034

SCHEMBL2194034

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)C4CCC4)cc3)o2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMO Q99835 1/20 0.43
PTPN1 P18031 3/20 0.39
PTPN2 P17706 1/20 0.39
F10 P00742 1/20 0.39
POLB P06746 2/20 0.39
VHL P40337 1/20 0.38
JAK1 P23458 2/20 0.38

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
SCHEMBL2194770 0.97 MEN1 (0.43) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2196826 0.96 KMT2A (0.45) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2193547 0.87 HPGD (0.48) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL12490017 0.85 SMO (0.45) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2193243 0.85 KMT2A (0.42) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2192006 0.85 KMT2A (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2195946 0.83 MEN1 (0.50) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL14648098 0.82 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2195166 0.82 NPC1 (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL13570367 0.82 CNR2 (0.48) KDM4EMEN1KMT2AALDH1A1HPGD

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-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed

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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KDM4E 3330/4885MEN1 4812/4885KMT2A 3866/4885

“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.