SCHEMBL2732841

SCHEMBL2732841

O=C(O)NCCc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CES2 O00748 1/20 0.56
MAPT P10636 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
SLC13A5 Q86YT5 1/20 0.50
PDPK1 O15530 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
FFAR1 O14842 1/20 0.49
SOX18 P35713 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
LMNA P02545 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47

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
SCHEMBL5969148 0.85 ESRRG (0.60) CYP1A2GAAHDAC1HDAC8PDPK1
SCHEMBL761158 0.85 KDM4E (0.61) CYP1A2CES2MAPTHTTKDM4E
SCHEMBL6198665 0.85 CES2 (0.54) CYP1A2CES2MAPTHTTKDM4E
SCHEMBL9002952 0.84 HPGD (0.65) CYP1A2MAPTHTTKDM4EALDH1A1
SCHEMBL1984009 0.83 MAPT (0.56) CYP1A2CES2MAPTHTTKDM4E
SCHEMBL4857939 0.83 MAPT (0.56) CYP1A2CES2MAPTHTTKDM4E
SCHEMBL1695082 0.82 NR1H4 (0.58) CYP1A2HDAC1HDAC8FFAR1NR1H4
SCHEMBL3240006 0.82 CES2 (0.66) CYP1A2CES2MAPTHTTKDM4E
SCHEMBL13652571 0.82 MTNR1A (0.62) CES2MAPTHTTKDM4EALDH1A1
SCHEMBL31713941 0.82 NR1H4 (0.57) MAPTHTTKDM4EGAANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2025-06-12 US disclosed
US-20250064989-A1 COMPOSITION AND METHODS FOR TUMOR IMAGING AND TREATMENT THE UNIVERSITY OF CHICAGO (US) 2025-02-27 US disclosed
US-12138320-B2 Composition and methods for tumor imaging and treatment THE UNIVERSITY OF CHICAGO (US) 2024-11-12 US disclosed
US-9249128-B2 Anti-cancer serine hydrolase inhibitory carbamates THE SCRIPPS RESEARCH INSTITUTE (US) 2016-02-02 US disclosed
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
EP-2632912-A2 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES The Scripps Research Institute (US) 2013-09-04 EP disclosed
WO-2012058115-A2 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES CRAVATT BENJAMIN (US) 2012-05-03 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-20250064989-A1 COMPOSITION AND METHODS FOR TUMOR IMAGING AND TREATMENT NCEH1, CES1, ASAH1 CYP1A2 3352/4885CES2 149/4885MAPT 3562/4885
US-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION KMT5A, KMT5B, KMT5C CYP1A2 835/4885CES2 2259/4885MAPT 1942/4885
US-20130281453-A1 ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES AADAC, DDAH1, PRSS1 CYP1A2 4014/4885CES2 679/4885MAPT 4221/4885
US-12138320-B2 Composition and methods for tumor imaging and treatment NCEH1, CES1, ASAH1 CYP1A2 3352/4885CES2 149/4885MAPT 3562/4885

“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.