SCHEMBL3128705

SCHEMBL3128705

CC(C)Cc1cc(C(=O)N2CCCC2)nnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.40
RAB9A P51151 11/20 0.40
HPGD P15428 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 10/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4489665 0.99 HPGD (0.41) GNERAB9AHPGDMEN1KMT2A
SCHEMBL3136957 0.86 HPGD (0.40) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL3138155 0.86 RAB9A (0.38) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL4500319 0.85 HPGD (0.39) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL4487940 0.85 HPGD (0.41) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL13762558 0.84 RAB9A (0.44) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL3392295 0.83 ALDH1A1 (0.36) LMNATSHRALDH1A1
SCHEMBL13523569 0.82 HPGD (0.37) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL13600517 0.81 HPGD (0.39) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL13523736 0.81 RAB9A (0.39) GNERAB9AHPGDMEN1KMT2A

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-20100022549-A1 ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 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-20100022549-A1 ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE H1-4, H1-5, H1-3 GNE 2755/4885RAB9A 4442/4885HPGD 1495/4885

“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.