SCHEMBL4417849

SCHEMBL4417849

CC(=O)c1ccc(Nc2ncc(C)cc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
GUSB P08236 1/20 0.41
GSK3B P49841 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL14293153 0.84 RAB9A (0.44) NPC1RAB9ASMN1; SMN2TTBK1TTBK2
SCHEMBL4417857 0.83 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TTBK1TTBK2
SCHEMBL17492679 0.79 AURKA (0.44) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL3942497 0.79 IGF1R (0.50) NPC1RAB9ASMN1; SMN2HTTGSK3B
SCHEMBL3949861 0.78 CYP2A6 (0.39) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4414071 0.77 MAPT (0.43) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL3940864 0.77 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3947432 0.76 KDM4E (0.34) HTTMAPTALDH1A1KDM4E
SCHEMBL25042804 0.76 AKR1C3 (0.49) SMN1; SMN2MAPTAKR1C3AKR1C2NPSR1
SCHEMBL18858405 0.75 DHODH (0.48) RAB9AMEN1KMT2ATDP1

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 NPC1 3645/4885RAB9A 456/4885SMN1; SMN2 3823/4885

“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.