SCHEMBL7121935

SCHEMBL7121935

NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.46
PARP15 Q460N3 5/20 0.46
PARP14 Q460N5 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
F2 P00734 5/20 0.44
ST14 Q9Y5Y6 5/20 0.44
PARP2 Q9UGN5 3/20 0.42
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
PLG P00747 2/20 0.40
CHRNB2 P17787 1/20 0.40

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
SCHEMBL7124170 0.90 MMP2 (0.44) PARP10MMP2MMP7MMP9MMP13
SCHEMBL7125268 0.90 PARP10 (0.53) PARP10PARP15PARP14KMT2AMMP2
SCHEMBL7120658 0.89 MMP2 (0.45) PARP10MMP2MMP7MMP9MMP13
SCHEMBL7124896 0.89 MMP2 (0.57) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116944 0.88 HPGD (0.46) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7127599 0.88 NAAA (0.49) PARP10MMP2MMP7MMP9MMP13
SCHEMBL7121780 0.88 SLC6A3 (0.46) KMT2AMMP2MMP7MMP9MMP13
SCHEMBL7124966 0.88 SLC6A4 (0.46) KMT2AMMP2MMP7MMP9MMP13
Hydrochloric Acid SCHEMBL7124074 0.87 SLC6A3 (0.45) KMT2AMMP2MMP7MMP9MMP13
SCHEMBL7117924 0.86 CA1 (0.43) ALDH1A1KMT2AMMP2MMP7MMP9

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 PARP10 1099/4885PARP15 1056/4885PARP14 1607/4885

“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.