SCHEMBL7350243

SCHEMBL7350243

COc1ccc2[nH]c(C)c(CC=O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.64
HTR1D P28221 2/20 0.63
HTR6 P50406 2/20 0.63
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
HTR1A P08908 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR1E P28566 1/20 0.60
HTR7 P34969 1/20 0.60
HTR5A P47898 1/20 0.60
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 6/20 0.58
MAPT P10636 6/20 0.58
MCL1 Q07820 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HSD17B10 Q99714 4/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL23602327 0.85 HTR1D (0.63) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL11374190 0.81 ALDH1A1 (0.78) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL7960856 0.79 AKR1C2 (0.67) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL11488806 0.79 HTR6 (0.76) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL20299611 0.79 KEAP1 (0.47) HTR6HTR7ALDH1A1KDM4EMAPT
SCHEMBL8555235 0.79 HTR1D (0.76) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL10205891 0.78 AKR1C2 (0.80) AKR1C2HTR1DHTR6MTNR1AMTNR1B
Deschlorobenzoyl Indomethacin SCHEMBL454792 0.78 AKR1C2 (1.00) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL4231080 0.78 HTR1D (0.74) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL24453687 0.78 HTR6 (0.65) AKR1C2HTR1DHTR6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US disclosed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP disclosed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO disclosed
US-5112846-A Nonsteroidal antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1992-05-12 US disclosed
US-5075330-A N-hydroxyamide, N-hydroxythioamide, N-hydroxyurea, and N-hydroxythiourea derivatives of selected NSAIDS as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-12-24 US disclosed
US-4981865-A N-hydroxyamide, N-hydroxythioamide, hydroxyurea, and N-hydroxythiourea derivatives of selected nsaids as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-01-01 US disclosed
US-4186133-A Process for the preparation of an indole-3-acetohydroxamic acid ISTITUTO BIOLOGICO CHEMIOTERAPICO "ABC" S.P.A. (IT) 1980-01-29 US disclosed
US-4186133-A Process for the preparation of an indole-3-acetohydroxamic acid ISTITUTO BIOLOGICO CHEMIOTERAPICO "ABC" S.P.A. (IT) 1980-01-29 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-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS AKR1C2 1158/4885HTR1D 4546/4885HTR6 4742/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS AKR1C2 1158/4885HTR1D 4546/4885HTR6 4742/4885

“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.