SCHEMBL21579620

SCHEMBL21579620

O=C(NCc1cccs1)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
Hydrochloric Acid SCHEMBL21571265 0.99 MAPT (0.46) MAPTPOLBKMT2AGLAHPGD
Hydrochloric Acid SCHEMBL21571269 0.99 MAPT (0.46) MAPTPOLBKMT2AGLAHPGD
Hydrochloric Acid SCHEMBL30633207 0.99 MAPT (0.46) MAPTPOLBKMT2AGLAHPGD
SCHEMBL30633255 0.81 POLB (0.52) POLBKMT2AGLAHPGDPKM
SCHEMBL30633264 0.81 F12 (0.45) MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL20168356 0.81 F12 (0.45) MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL20168358 0.81 F12 (0.45) MAPTSMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL21571032 0.80 POLB (0.51) MAPTPOLBKMT2AGLAHPGD
Hydrochloric Acid SCHEMBL21571033 0.80 POLB (0.51) MAPTPOLBKMT2AGLAHPGD
SCHEMBL26016585 0.80 F12 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed
US-10875851-B2 Factor XIIa inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-29 US disclosed
US-20190352294-A1 Factor XIIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2019-11-21 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 (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-10875851-B2 Factor XIIa inhibitors F11, F13B, SERPINC1 MAPT 4551/4885POLB 3324/4885KMT2A 3134/4885
US-20190352294-A1 Factor XIIa Inhibitors F11, F13B, SERPINC1 MAPT 4551/4885POLB 3324/4885KMT2A 3134/4885

“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.