SCHEMBL14420992

SCHEMBL14420992

CCC(C)(C)C(=O)Nc1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 4/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
MEN1 O00255 1/20 0.46
NOTUM Q6P988 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL21941045 0.88 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL14417068 0.83 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4229894 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL27949730 0.77 KDM4E (0.58) RAB9ANPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL1620535 0.76 KMT2A (0.51) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL1722219 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL10672139 0.76 KMT2A (0.54) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL22648400 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL26085118 0.74 RORC (0.49) RAB9ANPC1MAPTKMT2AGAA
SCHEMBL14559576 0.73 MAPK1 (0.62) RAB9ANPC1SMN1; SMN2KMT2AKDM4E

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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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 (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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 RAB9A 3493/4885NPC1 3726/4885SMN1; SMN2 4174/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 RAB9A 3493/4885NPC1 3726/4885SMN1; SMN2 4174/4885

“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.