SCHEMBL7122485

SCHEMBL7122485

CS(=O)(=O)Nc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
PGR P06401 1/20 0.43
PANK3 Q9H999 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MMP2 P08253 3/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
MMP7 P09237 1/20 0.40
MMP3 P08254 1/20 0.39
MMP14 P50281 1/20 0.39
MMP1 P03956 1/20 0.39
CHEK2 O96017 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL7125039 0.90 HTT (0.44) HTTPGRSMN1; SMN2MMP2MMP9
SCHEMBL7124917 0.87 HTT (0.54) HTTPANK3SMN1; SMN2TSHRALDH1A1
SCHEMBL7116416 0.85 ALDH1A1 (0.43) HTTSMN1; SMN2TSHRMMP2MMP9
SCHEMBL7232594 0.85 HTT (0.40) HTTPGRPANK3SMN1; SMN2TSHR
SCHEMBL7124977 0.85 MMP2 (0.41) HTTPGRSMN1; SMN2MMP2MMP9
SCHEMBL7127599 0.84 NAAA (0.49) MMP2MMP9MMP13MMP7RAB9A
SCHEMBL7116944 0.84 HPGD (0.46) HTTSMN1; SMN2TSHRMMP2MMP9
SCHEMBL7120658 0.83 MMP2 (0.45) HTTSMN1; SMN2TSHRMMP2MMP9
SCHEMBL7124896 0.83 MMP2 (0.57) PGRMMP2MMP9MMP13MMP7
SCHEMBL7117924 0.83 CA1 (0.43) HTTMMP2MMP9MMP13MMP7

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 HTT 2067/4885PGR 1404/4885PANK3 3164/4885

“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.