SCHEMBL7124920

SCHEMBL7124920

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(N3CCOCC3)sn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TTK P33981 2/20 0.36
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
USP30 Q70CQ3 4/20 0.33
LRRK2 Q5S007 2/20 0.33
SELE P16581 2/20 0.33
ICAM1 P05362 1/20 0.33
MAPK13 O15264 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FLT3 P36888 2/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL7121821 0.83 SCD5 (0.38) ALDH1A1KDM4ESMN1; SMN2TSHRUSP2
SCHEMBL7113527 0.83 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2TSHRUSP2
SCHEMBL7127442 0.83 KDM4E (0.35) ALDH1A1KDM4ESMN1; SMN2LMNAUSP30
SCHEMBL7127471 0.83 MAPK13 (0.38) SMN1; SMN2USP30LRRK2MAPK13FLT3
SCHEMBL7116841 0.83 NPC1 (0.37) ALDH1A1KDM4ESMN1; SMN2USP30LRRK2
SCHEMBL7125408 0.82 USP30 (0.39) ALDH1A1SMN1; SMN2LMNAUSP30NPSR1
SCHEMBL7117122 0.82 ACACB (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK13
SCHEMBL7124962 0.82 POLB (0.37) SMN1; SMN2MMP2MMP7MMP9MMP13
SCHEMBL7120602 0.82 MMP2 (0.36) SMN1; SMN2MMP2MMP7MMP9MMP13
SCHEMBL6883238 0.81 CHRNA7 (0.48) TSHR

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 ALDH1A1 870/4885KDM4E 392/4885SMN1; SMN2 1918/4885

“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.