SCHEMBL4499362

SCHEMBL4499362

CCn1nc(-c2ccccc2C)c2cc(C(=O)O)sc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 4/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL733174 0.85 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL308258 0.78 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL6408825 0.72 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4486371 0.71 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL4515394 0.70 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL1739256 0.69 MARS1 (0.53) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL348602 0.68 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL23402613 0.67 TRPM8 (0.38) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL23402204 0.65 TRPM8 (0.35) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL23403273 0.65 SMN1; SMN2 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 1047/4885ALDH1A1 2159/4885SMN1; SMN2 3624/4885

“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.