SCHEMBL27193265

SCHEMBL27193265

C[N+](C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc([N+](C)(C)C)cc4)cn3)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 9/20 0.56
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PTPN1 P18031 2/20 0.50
▸ PTPN6 P29350 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PTPN2 P17706 1/20 0.48
▸ TRPV1 Q8NER1 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ P4HA1 P13674 1/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.43

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
SCHEMBL27193298 0.79 PTPN1 (0.61) RAB9ASMN1; SMN2PTPN1NPC1TRPV1
SCHEMBL30828577 0.79 P4HTM (0.72) P4HTMRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL30828579 0.79 P4HTM (0.72) P4HTMRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL27193281 0.78 LMNA (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL1543044 0.72 PTPN1 (0.70) P4HTMRAB9ASMN1; SMN2PTPN1PTPN6
SCHEMBL26885198 0.72 NPC1 (0.66) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL5934587 0.72 TRPV1 (0.77) RAB9ANPC1TRPV1
SCHEMBL26885235 0.71 TRPV1 (0.63) P4HTMRAB9ASMN1; SMN2PTPN1ALDH1A1
SCHEMBL7962334 0.71 BAZ2B (0.74) P4HTMSMN1; SMN2P4HA1BAZ2B
SCHEMBL5934514 0.71 P4HTM (0.61) P4HTMRAB9ASMN1; SMN2PTPN1ALDH1A1

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 P4HTM 1064/4885RAB9A 1510/4885SMN1; SMN2 4605/4885

“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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