SCHEMBL30828594

SCHEMBL30828594

Cc1cc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccnc(C)c4)cc3)cc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.64
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ SORT1 Q99523 3/20 0.56
▸ SMARCA2 P51531 1/20 0.55
▸ SMARCA4 P51532 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KLK7 P49862 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL3989785 0.87 JAK2 (0.60) HDAC4MEN1KMT2ASORT1SMARCA2
SCHEMBL23999635 0.84 POLB (0.56) HDAC4MEN1KMT2ASORT1SMARCA2
SCHEMBL30232652 0.83 BRAF (0.54) HDAC4MEN1KMT2ASORT1SMN1; SMN2
SCHEMBL24003823 0.83 BRAF (0.54) HDAC4MEN1KMT2ASORT1SMN1; SMN2
SCHEMBL18007323 0.81 MCHR1 (0.55) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23999629 0.81 MAPT (0.63) MEN1KMT2ASMN1; SMN2POLBSTAT3
SCHEMBL23999624 0.81 MAPT (0.63) MEN1KMT2ASMN1; SMN2POLBSTAT3
SCHEMBL30232524 0.81 KCNK3 (0.55) MEN1KMT2APOLB
SCHEMBL24003834 0.81 KCNK3 (0.55) MEN1KMT2APOLB
SCHEMBL19662756 0.80 NT5E (0.71) MEN1KMT2APOLBNPC1RAB9A

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 HDAC4 596/4885MEN1 3207/4885KMT2A 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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