SCHEMBL14826518

SCHEMBL14826518

O=C(Cc1c(F)cccc1Cl)NC1NC2CCCCC2S1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ KMT2A Q03164 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 2/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
Bicarbonate SCHEMBL7620822 0.70 ALDH1A1 (0.58) ALDH1A1KMT2AGAAMAPTP2RX7
Cyanide SCHEMBL27411534 0.70 ALDH1A1 (0.54) ALDH1A1KMT2AGAAMAPTP2RX7
Bicarbonate SCHEMBL9046253 0.70 KMT2A (0.62) ALDH1A1KMT2AGAAMAPTP2RX7
Bicarbonate SCHEMBL7615735 0.68 ALDH1A1 (0.64) ALDH1A1KMT2AGAAMAPTP2RX7
Bicarbonate SCHEMBL7618943 0.68 ALDH1A1 (0.70) ALDH1A1KMT2AGAAMAPTP2RX7
SCHEMBL12851348 0.67 TP53 (0.67) ALDH1A1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL4299881 0.67 SMN1; SMN2 (0.65) ALDH1A1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL23619688 0.67 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTSMN1; SMN2NPSR1
Bicarbonate SCHEMBL7614611 0.67 ALDH1A1 (0.61) ALDH1A1KMT2AGAAMAPTP2RX7
SCHEMBL8907216 0.67 ALDH1A1 (0.50) ALDH1A1KMT2AGAAMAPTSMN1; SMN2

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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 — — 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 ALDH1A1 3082/4885KMT2A 4174/4885GAA 1193/4885

“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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