SCHEMBL334915

SCHEMBL334915

CC(=O)c1cccc(-n2cnnn2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.71
KCNJ1 P48048 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
CREBBP Q92793 1/20 0.61
NSD2 O96028 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
EPHX2 P34913 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.57
PTGS2 P35354 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL4583569 0.87 TP53 (0.70) TP53SMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL31175292 0.85 SMN1; SMN2 (0.71) TP53SMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL939911 0.85 SMN1; SMN2 (0.71) TP53SMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL21152328 0.80 NOTUM (0.72) TP53KCNJ1SMN1; SMN2KMT2AMEN1
SCHEMBL15825106 0.80 KMT2A (0.71) TP53KCNJ1SMN1; SMN2KMT2AMEN1
SCHEMBL7000863 0.80 TP53 (0.73) TP53SMN1; SMN2CREBBPKMT2AEPHX2
SCHEMBL334399 0.80 KCNJ1 (1.00) KCNJ1LMNARAB9A
SCHEMBL13726797 0.79 NOTUM (0.59) TP53SMN1; SMN2CREBBPNSD2DUSP3
SCHEMBL7826388 0.79 TP53 (0.60) TP53SMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL18706507 0.78 RXFP1 (0.49) TP53KCNJ1CREBBPTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
EP-1773125-A1 5-IODOTETRAZOLES Lanxess Deutschland GmbH (DE) 2007-04-18 EP disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
WO-2006012996-A1 5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2006-02-09 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 (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-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 TP53 3261/4885KCNJ1 218/4885SMN1; SMN2 4061/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 TP53 3887/4885KCNJ1 2657/4885SMN1; SMN2 3120/4885

“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.