SCHEMBL1124574

SCHEMBL1124574

CCOC(=O)C(N)Cc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
BRD4 O60885 1/20 0.37
SCN9A Q15858 1/20 0.37
PIN1 Q13526 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 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
Hydrochloric Acid SCHEMBL28362929 0.98 NLRP3 (0.48) NLRP3MEN1KMT2AGAASMN1; SMN2
SCHEMBL29039963 0.84 NLRP3 (0.41) NLRP3KMT2AALDH1A1
SCHEMBL10467278 0.81 PTPRA (0.50) MEN1KMT2AGAASMN1; SMN2CYP1A2
SCHEMBL1693012 0.81 PTPRA (0.50) MEN1KMT2AGAASMN1; SMN2CYP1A2
SCHEMBL27973844 0.81 PTPRA (0.50) MEN1KMT2AGAASMN1; SMN2CYP1A2
SCHEMBL20703028 0.81 CYP1A2 (0.56) NLRP3MEN1KMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6792952 0.80 PTPRA (0.49) MEN1KMT2AGAASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL10467277 0.80 PTPRA (0.49) MEN1KMT2AGAASMN1; SMN2CYP1A2
SCHEMBL28978417 0.76 ACACB (0.47) MEN1KMT2ASMN1; SMN2NPC1LMNA
SCHEMBL17587 0.76 SLC13A5 (0.43) NLRP3MEN1KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 US disclosed
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 US disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 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 (3 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-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A NLRP3 4/4885MEN1 888/4885KMT2A 4501/4885
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 NLRP3 371/4885MEN1 1068/4885KMT2A 865/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 NLRP3 5/4885MEN1 1001/4885KMT2A 4408/4885

“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.