SCHEMBL30828576

SCHEMBL30828576

COc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(F)c4)cc3)cc2)ccc1N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ USP2 O75604 1/20 0.49
▸ CYP19A1 P11511 1/20 0.48
▸ MAPK14 Q16539 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL30828549 0.93 ALDH1A1 (0.58) MCHR1ALDH1A1NPC1TP53RAB9A
SCHEMBL30828574 0.90 PTPN1 (0.55) MCHR1NPC1RAB9ACYP19A1MAPT
SCHEMBL30828571 0.83 MCHR1 (0.50) MCHR1CYP19A1HTR2C
SCHEMBL30828587 0.81 MCHR1 (0.48) MCHR1CYP19A1HTR2C
SCHEMBL30828560 0.79 MAPK14 (0.45) MCHR1ALDH1A1NPC1TP53RAB9A
SCHEMBL30828580 0.78 PTPN1 (0.43) MCHR1NPC1RAB9ACYP19A1PTPN1
SCHEMBL27193288 0.76 ALDH1A1 (0.51) MCHR1ALDH1A1NPC1TP53RAB9A
SCHEMBL30828585 0.75 RAB9A (0.54) MCHR1ALDH1A1NPC1TP53RAB9A
SCHEMBL30828604 0.74 MAPT (0.55) MCHR1NPC1RAB9ASMN1; SMN2CYP19A1
SCHEMBL30828598 0.74 MAPT (0.51) NPC1RAB9ACYP19A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 — — 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 (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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 MCHR1 3913/4885ALDH1A1 2841/4885NPC1 2211/4885

“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.

Send feedback