SCHEMBL3831363

SCHEMBL3831363

O=C(O)c1cc2ccccc2n1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
MAOA P21397 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
CCR2 P41597 4/20 0.55
DAO P14920 1/20 0.50
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
SRD5A2 P31213 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
P2RX4 Q99571 2/20 0.43
SRD5A1 P18405 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 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
SCHEMBL7170567 0.83 KDM1A (0.48) KDM1AMAOARCOR1CCR2ALDH1A1
SCHEMBL28460969 0.82 KDM1A (0.47) KDM1AMAOARCOR1CCR2ALDH1A1
SCHEMBL8791569 0.81 KDM1A (0.52) KDM1AMAOARCOR1CCR2TSHR
SCHEMBL9120939 0.80 CCR2 (0.51) KDM1AMAOARCOR1CCR2DAO
SCHEMBL9124126 0.80 MCL1 (0.49) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL6988076 0.79 MCL1 (0.58) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL13802196 0.78 CCR2 (0.59) CCR2DAOMCL1ALDH1A1TSHR
SCHEMBL28293431 0.78 KDM1A (0.49) KDM1AMAOARCOR1CCR2P2RX4
SCHEMBL9090757 0.77 MAOA (0.47) KDM1AMAOARCOR1CCR2TSHR
SCHEMBL3639124 0.77 SRD5A2 (0.69) ALDH1A1SRD5A2CYP1A2SRD5A1MEN1

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
EP-2099778-A2 AMIDO ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-16 EP disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 US disclosed
WO-2008064218-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 WO disclosed
US-RE37094-E1 Heterocyclic substituted acylaminothiazoles, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2001-03-13 US disclosed
US-5189049-A Cholecystokinin and gastrin inhibitors SANOFI (FR) 1993-02-23 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-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L KDM1A 2751/4885MAOA 879/4885RCOR1 1252/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 KDM1A 3815/4885MAOA 97/4885RCOR1 3854/4885

“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.