SCHEMBL2194228

SCHEMBL2194228

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)Cc4ccccn4)cc3)o2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMO Q99835 1/20 0.41
VHL P40337 5/20 0.38
ELOC Q15369 3/20 0.38
ELOB Q15370 3/20 0.38
HDAC4 P56524 1/20 0.38
POLB P06746 2/20 0.37
CYP2C9 P11712 2/20 0.36

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
SCHEMBL2191999 0.89 KDM4E (0.48) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2196803 0.88 HPGD (0.41) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2195269 0.85 MEN1 (0.41) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2193243 0.83 KMT2A (0.42) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2195542 0.82 VHL (0.43) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2195946 0.82 MEN1 (0.50) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL14648082 0.81 VHL (0.61) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2196826 0.81 KMT2A (0.45) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2196120 0.80 VHL (0.42) MEN1KMT2AHPGDKDM4ENPC1
SCHEMBL2197393 0.79 KMT2A (0.46) MEN1KMT2AHPGDKDM4ENPC1

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 MEN1 4812/4885KMT2A 3866/4885HPGD 3682/4885

“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.