SCHEMBL27193298

SCHEMBL27193298

C[N+](C)(C)c1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc([N+](C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.61
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ DEGS1 O15121 1/20 0.56
▸ POLB P06746 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ CACNA1B Q00975 2/20 0.50
▸ APBA1 Q02410 2/20 0.50
▸ NR1H4 Q96RI1 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ PSMD14 O00487 1/20 0.49

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
SCHEMBL27193306 0.84 NPC1 (0.47) PTPN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL25491824 0.79 RAB9A (0.88) PTPN1NPC1RAB9ADEGS1MEN1
SCHEMBL17066707 0.79 RAB9A (0.88) PTPN1NPC1RAB9ADEGS1MEN1
SCHEMBL25970267 0.79 RAB9A (0.88) PTPN1NPC1RAB9ADEGS1MEN1
SCHEMBL15214314 0.79 RAB9A (0.88) PTPN1NPC1RAB9ADEGS1MEN1
SCHEMBL27193265 0.79 P4HTM (0.56) PTPN1NPC1RAB9AMEN1KMT2A
Benzidine SCHEMBL22206777 0.78 POLB (0.85) PTPN1NPC1RAB9ADEGS1POLB
SCHEMBL16592197 0.77 PTPN1 (0.75) PTPN1NPC1RAB9ADEGS1POLB
SCHEMBL20284045 0.77 DEGS1 (0.86) PTPN1NPC1RAB9ADEGS1POLB
SCHEMBL25141374 0.76 POLB (0.88) PTPN1NPC1RAB9ADEGS1POLB

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 PTPN1 937/4885NPC1 2211/4885RAB9A 1510/4885

“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