SCHEMBL30445839

SCHEMBL30445839

O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(OCCc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.66
MMP13 P45452 5/20 0.66
MMP9 P14780 4/20 0.66
MMP8 P22894 4/20 0.66
MAPT P10636 6/20 0.62
TP53 P04637 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HPSE Q9Y251 4/20 0.61
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
COMT P21964 1/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL25202397 1.00 MMP2 (0.66) MMP2MMP13MMP9MMP8MAPT
SCHEMBL25206721 0.91 MMP2 (0.68) MMP2MMP13MMP9MMP8MAPT
SCHEMBL30442876 0.91 MMP2 (0.68) MMP2MMP13MMP9MMP8MAPT
SCHEMBL30445806 0.84 PRSS12 (0.63) MMP2MMP13MMP9MMP8MAPT
SCHEMBL25247637 0.84 PRSS12 (0.63) MMP2MMP13MMP9MMP8MAPT
SCHEMBL25232314 0.82 MAPT (0.59) MMP2MMP13MMP9MMP8MAPT
SCHEMBL6528511 0.82 HPSE (0.67) MMP2MMP13MMP9MMP8MAPT
SCHEMBL30445817 0.82 MAPT (0.59) MMP2MMP13MMP9MMP8MAPT
SCHEMBL6264436 0.82 MMP2 (0.69) MMP2MMP13MMP9MMP8MAPT
SCHEMBL25217151 0.81 KMT2A (0.55) MMP2MMP13MMP9MMP8MAPT

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-20230172913-A1 COMPOUNDS FOR USE IN THE REACTIVATION OF HIV IN LATENT HIV-INFECTED CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-08 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-20230172913-A1 COMPOUNDS FOR USE IN THE REACTIVATION OF HIV IN LATENT HIV-INFECTED CELLS TARBP1, NFATC1, TARDBP MMP2 4195/4885MMP13 3848/4885MMP9 4127/4885

“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.