SCHEMBL16486558

SCHEMBL16486558

Nc1nc2ccccc2[nH]1.[PbH2]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.95
MEN1 O00255 2/20 0.95
KMT2A Q03164 2/20 0.95
NUDT1 P36639 2/20 0.95
MASP2 O00187 1/20 0.95
AOC3 Q16853 1/20 0.95
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
HSD17B10 Q99714 5/20 0.58
KDM4E B2RXH2 4/20 0.58
TP53 P04637 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
ABCB11 O95342 1/20 0.58
PKM P14618 1/20 0.58
PLAUR Q03405 1/20 0.57
HPGD P15428 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 3/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL9098 0.98 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL30587443 0.98 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL28939728 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Fluoride SCHEMBL31379745 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
SCHEMBL28908224 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Hydrochloric Acid SCHEMBL6120210 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Water SCHEMBL7472713 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Bromide SCHEMBL117936 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Bromide SCHEMBL118626 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2
Hydrochloric Acid SCHEMBL2761621 0.95 ALDH1A1 (0.95) ALDH1A1MEN1KMT2ANUDT1MASP2

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
WO-2023209141-A1 BENZO[D]IMIDAZO[1,2-A]IMIDAZOLES AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2023-11-02 WO disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 ALDH1A1 1952/4885MEN1 3805/4885KMT2A 3217/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 ALDH1A1 1952/4885MEN1 3805/4885KMT2A 3217/4885

“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.