SCHEMBL21773965

SCHEMBL21773965

COc1cc(CNC(=O)CNC(=O)c2cccc(Cl)c2C)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 2/20 0.53
▸ LMNA P02545 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TRPV1 Q8NER1 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL21773974 0.84 HPGD (0.52) MT-CO2LMNAHPGDALDH1A1MEN1
SCHEMBL21773977 0.78 MEN1 (0.56) LMNAHPGDTRPV1ALDH1A1CYP1A2
SCHEMBL21773971 0.78 CA1 (0.57) CYP1A2CYP3A4CYP2C19KMT2AGAA
SCHEMBL14698338 0.77 APEX1 (0.59) LMNAHPGDTRPV1ALDH1A1CYP1A2
SCHEMBL21773986 0.77 LMNA (0.59) LMNAHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL30520585 0.76 APEX1 (0.58) LMNAHPGDTRPV1ALDH1A1CYP1A2
SCHEMBL21623922 0.76 APEX1 (0.58) LMNAHPGDTRPV1ALDH1A1CYP1A2
SCHEMBL21773973 0.76 MT-CO2 (0.50) MT-CO2LMNAHPGDMEN1MAPT
SCHEMBL1031773 0.76 TRPV1 (0.59) LMNAHPGDTRPV1ALDH1A1CYP1A2
SCHEMBL3862031 0.74 ALOX5 (0.64) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9

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-11999677-B2 Benzylamino-oxoethyl benzamide analogs and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2024-06-04 — — US disclosed
US-20220162157-A1 BENZYLAMINO-OXOETHYL BENZAMIDE ANALOGS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2022-05-26 — — US disclosed
US-20200071264-A1 BENZYLAMINO-OXOETHYL BENZAMIDE ANALOGS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2020-03-05 — — 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 (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-20220162157-A1 BENZYLAMINO-OXOETHYL BENZAMIDE ANALOGS AND METHODS OF USE BAD, ATP2A1, IAPP MT-CO2 3672/4885LMNA 1233/4885HPGD 1794/4885
US-20200071264-A1 BENZYLAMINO-OXOETHYL BENZAMIDE ANALOGS AND METHODS OF USE BAD, ATP2A1, IAPP MT-CO2 3672/4885LMNA 1233/4885HPGD 1794/4885
US-11999677-B2 Benzylamino-oxoethyl benzamide analogs and methods of use BAD, ATP2A1, IAPP MT-CO2 3672/4885LMNA 1233/4885HPGD 1794/4885

“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.

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