SCHEMBL23925774

SCHEMBL23925774

COc1ccc(Cl)cc1NC(=O)NCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 1/20 0.61
ALOX12 P18054 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SPR P35270 1/20 0.58
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
NOTUM Q6P988 2/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
HTR3A P46098 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL23925487 0.80 MAPT (0.79) MEN1KMT2AMAPTSPRMTNR1A
SCHEMBL23925499 0.79 MAPT (0.68) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL31452115 0.76 ABCG2 (0.69) MTNR1AMTNR1BABCG2SNCA
SCHEMBL6347047 0.76 MAPT (0.61) MEN1KMT2AMAPTSPRMTNR1A
SCHEMBL23925476 0.75 MAPT (0.76) MEN1KMT2AMAPTSPRMTNR1A
SCHEMBL23925504 0.75 GOT1 (0.78) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL6344612 0.75 MAPT (0.59) MEN1KMT2AMAPTSPRMTNR1A
SCHEMBL28872536 0.75 MTNR1A (0.77) LMNAMTNR1AMTNR1BABCG2TSHR
SCHEMBL4512654 0.74 MTNR1A (1.00) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL26088310 0.74 MPO (0.51) SPRMTNR1AMTNR1BNOTUMABCG2

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
WO-2021211123-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-10-21 WO claimed
US-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC 2023-04-27 US disclosed
WO-2021211123-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-10-21 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 (1 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-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA TLR4, TLR5, TLR1 MEN1 2778/4885KMT2A 2581/4885MAPT 1718/4885

“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.