SCHEMBL2471788

SCHEMBL2471788

COC(=O)C(C)(C)Oc1cc(C)c(C)c(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.39
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.33
FBP1 P09467 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL2474247 0.84 KDM4E (0.41) NCEH1KMT2ACYP1A2
SCHEMBL2473232 0.81 ALDH1A1 (0.42) LMNASMN1; SMN2KMT2ARAB9ATP53
SCHEMBL4399378 0.75 RAB9A (0.50) LMNASMN1; SMN2KMT2ARAB9ATP53
SCHEMBL2908470 0.74 CNR1 (0.36) LMNASMN1; SMN2KMT2ARAB9ACYP1A2
SCHEMBL2908107 0.73 FBP1 (0.34) LMNASMN1; SMN2KMT2ARAB9ATP53
SCHEMBL2907451 0.72 RAB9A (0.39) LMNASMN1; SMN2KMT2ARAB9ACYP1A2
SCHEMBL4173702 0.71 RAB9A (0.38) LMNASMN1; SMN2KMT2ARAB9ACYP1A2
SCHEMBL21991455 0.71 CYP2C9 (0.49) LMNASMN1; SMN2KMT2ARAB9ACYP1A2
SCHEMBL2904184 0.71 FBP1 (0.36) SMN1; SMN2RAB9ATP53FBP1
SCHEMBL3069062 0.71 RAB9A (0.41) LMNASMN1; SMN2KMT2ARAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 NCEH1 922/4885LMNA 4051/4885SMN1; SMN2 63/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 NCEH1 278/4885LMNA 3240/4885SMN1; SMN2 175/4885

“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.