SCHEMBL21294422

SCHEMBL21294422

O=C(O)NCCOc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
PIN1 Q13526 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21294488 0.83 CA12 (0.43) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL31250642 0.83 CA12 (0.43) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL31251103 0.79 PIN1 (0.38) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL21294560 0.79 BCHE (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18839589 0.77 PLAU (0.41) MAPTALDH1A1LMNAPIN1POLB
SCHEMBL18839864 0.77 MYC (0.39) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL18839861 0.77 MYC (0.39) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL16321377 0.76 HTT (0.37) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL325598 0.76 ESR1 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31251039 0.76 PIN1 (0.38) MAPTALDH1A1NPC1SMN1; SMN2LMNA

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
US-10689366-B2 Compounds for MALT1 degredation CORNELL UNIVERSITY (US) 2020-06-23 US disclosed
EP-3535254-A1 COMPOUNDS FOR MALT1 DEGRADATION Cornell University Cornell Center For Technology, Enterprise & Commercialization ("CCTEC") (US) 2019-09-11 EP disclosed
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CORNELL UNIVERSITY (US) 2019-08-29 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-10689366-B2 Compounds for MALT1 degredation CRBN, NFKB2, NFKB1 MAPT 3211/4885ALDH1A1 2961/4885NPC1 1096/4885
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CRBN, NFKB2, NFKB1 MAPT 2848/4885ALDH1A1 3324/4885NPC1 857/4885

“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.