SCHEMBL7122475

SCHEMBL7122475

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(N3CCOCC3)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
USP30 Q70CQ3 4/20 0.36
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
F2 P00734 1/20 0.34
USP2 O75604 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL7124755 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30MMP2MMP7
SCHEMBL7115098 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30MMP2MMP7
SCHEMBL7123345 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EUSP30USP2TSHR
SCHEMBL7116957 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EUSP30USP2TSHR
SCHEMBL7115036 0.84 USP30 (0.38) ALDH1A1KDM4EUSP30USP2TSHR
SCHEMBL7115059 0.84 MMP2 (0.38) ALDH1A1MMP2MMP7MMP9MMP13
SCHEMBL7121821 0.84 SCD5 (0.38) ALDH1A1KDM4EUSP30MMP2MMP7
SCHEMBL7123316 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EUSP30MMP2MMP7
SCHEMBL7127608 0.82 MMP13 (0.38) MMP2MMP7MMP9MMP13
SCHEMBL7124879 0.82 NAAA (0.40) MMP2MMP7MMP9MMP13SMN1; 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 ALDH1A1 870/4885KDM4E 392/4885USP30 2511/4885

“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.