SCHEMBL346432

SCHEMBL346432

COC(=O)c1ccc2ccn(-c3ccc(C)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CYP2C9 P11712 3/20 0.45
LMNA P02545 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 5/20 0.43
FGFR1 P11362 2/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 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
SCHEMBL25998835 0.89 CA12 (0.51) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL18002655 0.88 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL16720753 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4604283 0.87 FGFR1 (0.56) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL30201534 0.87 FGFR1 (0.56) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL3491657 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL15687568 0.80 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL18002810 0.79 POLB (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7219285 0.78 FGFR1 (0.58) ALDH1A1KDM4EHPGDPOLBNPSR1
SCHEMBL25431168 0.78 MAPT (0.49) ALDH1A1HPGDSMN1; SMN2CYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TDP1 1765/4885ALDH1A1 2538/4885KDM4E 4010/4885

“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.