SCHEMBL21390912

SCHEMBL21390912

Oc1ccc2ccc3cccnc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 3/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
HTT P42858 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
CYP3A4 P08684 3/20 0.56
MMP2 P08253 2/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 2/20 0.56
HSP90AA1 P07900 2/20 0.56
MAPT P10636 2/20 0.56
NFKB1 P19838 2/20 0.56

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
SCHEMBL29871258 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL31126641 0.87 MEN1 (0.56) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL10837840 0.87 MEN1 (0.56) ALDH1A1MEN1KMT2ACASP1CASP7
1-Naphthoquinoline SCHEMBL27520089 0.81 LMNA (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
1-Naphthoquinoline SCHEMBL28583281 0.79 LMNA (0.67) ALDH1A1LMNASMN1; SMN2KDM4ECCR1
1-Naphthoquinoline SCHEMBL28190950 0.79 LMNA (0.67) ALDH1A1LMNASMN1; SMN2KDM4ECCR1
1-Naphthoquinoline SCHEMBL27675599 0.79 LMNA (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL170181 0.79 LMNA (0.61) ALDH1A1MEN1KMT2ACASP1CASP7
1-Naphthoquinoline SCHEMBL27725047 0.78 LMNA (0.64) ALDH1A1LMNASMN1; SMN2KDM4ECCR1
1-Naphthoquinoline SCHEMBL29533982 0.77 LMNA (0.69) ALDH1A1LMNASMN1; SMN2KDM4ECCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20210111345-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2021-04-15 US disclosed
WO-2019179909-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-09-26 WO 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 (2 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-20210111345-A1 METAL COMPLEXES NCLN, BICRA, AP3M1 ALDH1A1 4579/4885MEN1 1112/4885KMT2A 2978/4885
US-11917903-B2 Metal complexes NCLN, BICRA, AP3M1 ALDH1A1 4579/4885MEN1 1112/4885KMT2A 2978/4885

“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.