SCHEMBL7124376

SCHEMBL7124376

CC(=O)Nc1nnc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.37
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
DGAT1 O75907 2/20 0.36
TP53 P04637 2/20 0.36
CSNK2A2 P19784 2/20 0.35
CSNK2A1 P68400 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL7124789 0.87 MMP2 (0.36) MMP2MMP7MMP9MMP13
SCHEMBL7118083 0.86 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2TP53MMP2
SCHEMBL7127379 0.86 MMP2 (0.36) MMP2MMP7MMP9MMP13
SCHEMBL7124235 0.84 MMP2 (0.36) TSHRMMP2MMP7MMP9MMP13
SCHEMBL7120560 0.84 GCK (0.42) NPC1RAB9ASMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL7120336 0.84 ACACB (0.38) CSNK2A2CSNK2A1MMP2MMP7MMP9
SCHEMBL7115944 0.83 EPHX2 (0.36) NPC1RAB9AMMP2MMP7MMP9
SCHEMBL7118035 0.82 MMP2 (0.34) ALDH1A1LMNAHPGDMMP2MMP7
SCHEMBL7125224 0.82 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7124977 0.82 MMP2 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 GLS 1546/4885NPC1 267/4885RAB9A 491/4885

“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.