SCHEMBL7125224

SCHEMBL7125224

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nnc(C(F)(F)F)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN9A Q15858 3/20 0.38
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MLYCD O95822 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
SCHEMBL7118083 0.85 SMN1; SMN2 (0.38) NPC1RAB9ATP53SMN1; SMN2MMP2
SCHEMBL7124235 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13KDM4E
SCHEMBL7127379 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13
SCHEMBL7124789 0.84 MMP2 (0.36) MMP2MMP7MMP9MMP13
SCHEMBL7126619 0.84 SCN9A (0.37) SMN1; SMN2SCN9AMMP2MMP7MMP9
SCHEMBL7123807 0.84 SCN9A (0.37) NPC1HTTRAB9ATP53SMN1; SMN2
SCHEMBL7115944 0.83 EPHX2 (0.36) NPC1RAB9ASCN9AMMP2MMP7
SCHEMBL7124376 0.82 GLS (0.37) NPC1HTTRAB9ATP53SMN1; SMN2
SCHEMBL7123409 0.82 SCN9A (0.35) SMN1; SMN2SCN9AMMP2MMP7MMP9
SCHEMBL7127585 0.81 HDAC6 (0.36) NPC1HTTRAB9ATP53SMN1; SMN2

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 NPC1 267/4885HTT 2067/4885RAB9A 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.