SCHEMBL6310401

SCHEMBL6310401

O=C(NC1CC2CC1CN2)c1ccc(Sc2ncco2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
EZH2 Q15910 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL6303569 0.83 CHRNA7 (0.38) CHRNA7EZH2HDAC6KDM4EALDH1A1
SCHEMBL6305365 0.83 CHRNA7 (0.41) CHRNA7EZH2KDM4EALDH1A1EPHX2
SCHEMBL6306317 0.82 CHRNA7 (0.37) CHRNA7EZH2HDAC6KDM4EALDH1A1
SCHEMBL6303618 0.81 CHRNA7 (0.34) CHRNA7EZH2HDAC6KDM4EALDH1A1
SCHEMBL7122497 0.81 CHRNA7 (0.36) CHRNA7EZH2HDAC6EPHX2MMP2
SCHEMBL6303374 0.81 CHRNA7 (0.56) CHRNA7EZH2ALDH1A1EPHX2MMP2
SCHEMBL6303387 0.80 CHRNA7 (0.36) CHRNA7EZH2HDAC6
SCHEMBL6310723 0.80 CHRNA7 (0.46) CHRNA7EZH2
SCHEMBL6304623 0.79 CHRNA7 (0.35) CHRNA7EZH2HDAC6
SCHEMBL6310234 0.79 MMP2 (0.39) EZH2ALDH1A1MMP2MMP7MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885EZH2 4701/4885HDAC6 1388/4885

“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.