SCHEMBL5451692

SCHEMBL5451692

O=[C]NCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.47
FFAR1 O14842 4/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HTT P42858 2/20 0.46
ABCC4 O15439 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL3305873 1.00 LMNA (0.49) LMNAALDH1A1CA1CA2MEN1
SCHEMBL27353 0.87 CA2 (0.48) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL5420659 0.80 FFAR1 (0.48) LMNAMEN1KMT2AFFAR1HTT
SCHEMBL1983767 0.79 LOXL2 (0.55) ALDH1A1CA1CA2EPHX2TSHR
SCHEMBL5428909 0.79 HDAC1 (0.45) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL5428904 0.79 HDAC1 (0.45) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL3311308 0.79 LTA4H (0.50) LMNAALDH1A1MEN1KMT2AFFAR1
SCHEMBL515532 0.74 SMN1; SMN2 (0.46) LMNAALDH1A1CA1CA2MEN1
SCHEMBL5221613 0.74 ESR1 (0.44) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL4633460 0.74 LMNA (0.47) LMNAALDH1A1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US claimed

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-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 LMNA 3336/4885ALDH1A1 918/4885CA1 480/4885

“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.