SCHEMBL6258103

SCHEMBL6258103

O=[N+]([O-])c1ccc(Sc2cccc(CN[C@H]3CCCc4ccccc43)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRMT5 O14744 1/20 0.44
POLB P06746 2/20 0.43
GRIN2B Q13224 1/20 0.43
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6255987 0.88 KDM4E (0.55) KDM4EALDH1A1KMT2AHTTPRMT5
SCHEMBL20797910 0.85 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL20797909 0.85 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6252438 0.85 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6253410 0.85 ALDH1A1 (0.51) KDM4EALDH1A1KMT2APRMT5POLB
SCHEMBL6256553 0.82 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6254643 0.82 KMT2A (0.59) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6253650 0.79 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1PRMT5
SCHEMBL8185330 0.78 KDM4E (0.71) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6255839 0.76 KDM4E (0.50) KDM4EALDH1A1KMT2APRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US disclosed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 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 (2 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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KDM4E 3624/4885ALDH1A1 404/4885KMT2A 3665/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KDM4E 3321/4885ALDH1A1 392/4885KMT2A 3291/4885

“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.