SCHEMBL8009682

SCHEMBL8009682

Nc1ccc(-c2c[nH]c(N)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GMNN O75496 1/20 0.40
PKM P14618 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 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
SCHEMBL4518438 0.83 XDH (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5924343 0.83 MAPT (0.47) METAP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL20390648 0.83 MEN1 (0.42) METAP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3574638 0.83 MAPT (0.46) METAP2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2419681 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL395101 0.83 XDH (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
Hydrochloric Acid SCHEMBL2379682 0.82 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL25214532 0.81 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6026708 0.81 METAP2 (0.42) METAP2ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8715979 0.81 XDH (0.50) ALDH1A1MEN1KMT2AMAPTHPGD

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-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 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-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS MYD88, TLR5, TLR8 METAP2 2880/4885ALDH1A1 4288/4885MEN1 4282/4885

“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.