SCHEMBL3429639

SCHEMBL3429639

Cc1ccc2c(C(C)(C)C)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.46
LMNA P02545 2/20 0.42
MRE11 P49959 5/20 0.40
XIAP P98170 1/20 0.40
ATM Q13315 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
OPRK1 P41145 1/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CTSB P07858 1/20 0.36
PPP3CB P16298 1/20 0.36
MITF O75030 1/20 0.36
CCR6 P51684 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9890981 0.87 TYR (0.54) TYRLMNAMRE11XIAPATM
SCHEMBL13556405 0.86 XIAP (0.48) TYRLMNAMRE11XIAPATM
SCHEMBL3429515 0.83 TYR (0.45) TYRLMNAXIAPATMNPC1
SCHEMBL9890978 0.82 TYR (0.42) TYRLMNAMRE11ATMMEN1
SCHEMBL22110048 0.78 ALDH1A1 (0.47) TYRLMNAXIAPMEN1KMT2A
SCHEMBL9890980 0.78 KCNQ1 (0.42) TYRLMNAMRE11XIAPATM
SCHEMBL10266218 0.76 ALDH1A1 (0.48) TYRLMNANPC1RAB9AMEN1
SCHEMBL3478854 0.74 ALDH1A1 (0.47) TYRLMNARAB9AMEN1KMT2A
SCHEMBL10266220 0.74 TYR (0.51) TYRLMNAMRE11MEN1KMT2A
SCHEMBL11947493 0.74 CTSB (0.46) TYRLMNAXIAPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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 (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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP TYR 3548/4885LMNA 947/4885MRE11 4293/4885

“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.