SCHEMBL462390

SCHEMBL462390

COC(=O)c1ccc(N)c(NCC(C)(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 8/20 0.50
HDAC1 Q13547 1/20 0.50
ERAP2 Q6P179 3/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 5/20 0.49
MAPT P10636 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL21310995 0.89 GAA (0.57) LNPEPERAP2KDM4EALDH1A1GAA
SCHEMBL24959076 0.87 HDAC1 (0.49) LNPEPHDAC1ERAP2KDM4EALDH1A1
SCHEMBL23286806 0.85 HDAC1 (0.47) LNPEPHDAC1ERAP2KDM4EALDH1A1
SCHEMBL6351226 0.84 ALDH1A1 (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL23286815 0.84 HDAC1 (0.46) LNPEPHDAC1ERAP2KDM4EALDH1A1
SCHEMBL23286924 0.84 LNPEP (0.48) LNPEPHDAC1ERAP2KDM4EALDH1A1
SCHEMBL2014323 0.82 LNPEP (0.56) LNPEPHDAC1ERAP2KDM4EALDH1A1
SCHEMBL23286896 0.82 HDAC1 (0.44) LNPEPHDAC1ERAP2KDM4EALDH1A1
SCHEMBL24265280 0.81 HDAC1 (0.53) LNPEPHDAC1ERAP2KDM4EALDH1A1
SCHEMBL23273578 0.80 PTGER4 (0.49) LNPEPHDAC1ERAP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2024-12-12 US disclosed
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 WO disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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 (4 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 LNPEP 3213/4885HDAC1 1025/4885ERAP2 2726/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 LNPEP 2453/4885HDAC1 3458/4885ERAP2 890/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 LNPEP 2924/4885HDAC1 995/4885ERAP2 3088/4885
US-20240409609-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF EGFR, ERBB2, ERBB3 LNPEP 156/4885HDAC1 889/4885ERAP2 1935/4885

“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.