SCHEMBL30828585

SCHEMBL30828585

Cc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(N(C)C)c(C)c4)cc3)cc2)ccc1N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PTPN1 P18031 5/20 0.49
▸ KCNK3 O14649 2/20 0.48
▸ FKBP5 Q13451 1/20 0.48
▸ MCHR1 Q99705 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK14 Q16539 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ BRAF P15056 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 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
SCHEMBL30828574 0.84 PTPN1 (0.55) RAB9ANPC1KMT2APTPN1KCNK3
SCHEMBL30828598 0.84 MAPT (0.51) RAB9ANPC1KMT2APTPN1KCNK3
SCHEMBL30828604 0.84 MAPT (0.55) RAB9ANPC1KMT2APTPN1KCNK3
SCHEMBL30828549 0.81 ALDH1A1 (0.58) RAB9ANPC1MCHR1MAPTALDH1A1
SCHEMBL30828564 0.80 MAPT (0.55) RAB9ANPC1KMT2APTPN1MCHR1
SCHEMBL14375922 0.79 NPC1 (0.62) RAB9ANPC1KMT2AKCNK3MAPT
SCHEMBL30828560 0.78 MAPK14 (0.45) RAB9ANPC1PTPN1KCNK3MCHR1
SCHEMBL10985268 0.76 SMN1; SMN2 (0.49) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL24628415 0.76 DEGS1 (0.60) RAB9ANPC1KMT2APTPN1FKBP5
SCHEMBL10355528 0.76 KMT2A (0.66) RAB9ANPC1KMT2APTPN1KCNK3

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 RAB9A 1510/4885NPC1 2211/4885KMT2A 1571/4885

“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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