SCHEMBL17448609

SCHEMBL17448609

CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CNC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RORC P51449 2/20 0.39
FPR3 P25089 6/20 0.38
FPR2 P25090 6/20 0.38
AKT1 P31749 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.36
AKT2 P31751 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CACNA1B Q00975 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
SCHEMBL2588632 0.90 NPC1 (0.47) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL1141296 0.87 NPC1 (0.45) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL360875 0.87 AKT1 (0.45) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL2755197 0.86 NPC1 (0.44) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL10215887 0.86 NPC1 (0.44) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL10226673 0.85 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL15401802 0.85 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL251528 0.85 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL10274515 0.85 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2RORC
SCHEMBL10167174 0.85 NPC1 (0.43) NPC1RECQLRAB9ASMN1; SMN2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 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-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 NPC1 62/4885RECQL 3903/4885RAB9A 1558/4885

“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.