SCHEMBL4509903

SCHEMBL4509903

CCOC(=O)C(N)C(=S)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
PIN1 Q13526 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MMP8 P22894 2/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1221367 0.83 MEN1 (0.56) MEN1KMT2ANPC1PIN1TDP1
SCHEMBL6958681 0.83 NPC1 (0.56) MEN1KMT2ANPC1PIN1TDP1
Hydrochloric Acid SCHEMBL2106187 0.81 NPC1 (0.54) MEN1KMT2ANPC1PIN1TDP1
SCHEMBL28178712 0.81 NPC1 (0.54) MEN1KMT2ANPC1PIN1TDP1
SCHEMBL4231267 0.80 NPC1 (0.53) MEN1KMT2ANPC1PIN1TDP1
SCHEMBL28442648 0.79 MMP8 (0.60) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL28361421 0.76 ALDH1A1 (0.48) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL3231535 0.75 ALDH1A1 (0.55) MEN1KMT2ANPC1PIN1TDP1
Thiobenzoic Acid SCHEMBL28631548 0.75 NPC1 (0.54) MEN1KMT2ANPC1PIN1TDP1
SCHEMBL10393810 0.73 KMT2A (0.71) MEN1KMT2ANPC1PIN1TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 MEN1 4495/4885KMT2A 1216/4885NPC1 2497/4885

“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.