SCHEMBL13626646

SCHEMBL13626646

CCNC(=O)c1cc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.59
PTGER4 P35408 5/20 0.57
BRD4 O60885 1/20 0.46
PTGER2 P43116 1/20 0.46
KDR P35968 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IP6K1 Q92551 1/20 0.43

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
SCHEMBL15591342 0.83 PTGER4 (0.61) TACR3PTGER4PTGER2HPGDALDH1A1
SCHEMBL16566678 0.79 PTGER4 (0.57) TACR3PTGER4PTGER2HPGDALDH1A1
SCHEMBL13611924 0.79 PTGER4 (0.57) TACR3PTGER4PTGER2HPGDNPC1
SCHEMBL19328605 0.79 PTGER4 (0.64) TACR3PTGER4PTGER2NPC1SMN1; SMN2
SCHEMBL13626644 0.78 HPGD (0.47) BRD4HPGDNPC1ALDH1A1IP6K1
SCHEMBL2117675 0.78 PLK1 (0.66) BRD4HPGDNPC1ALDH1A1
SCHEMBL1943712 0.77 PTGER4 (0.58) TACR3PTGER4HPGDALDH1A1SMN1; SMN2
SCHEMBL10763660 0.77 HPGD (0.54) TACR3PTGER4HPGDNPC1ALDH1A1
SCHEMBL10672864 0.77 CDC25B (0.57) TACR3PTGER4HPGDNPC1ALDH1A1
SCHEMBL12391548 0.76 PTGER4 (0.47) PTGER4HPGDNPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 US disclosed
US-7524883-B2 Eponemycin and epoxomicin analogs and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR TACR3 4029/4885PTGER4 915/4885BRD4 1407/4885

“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.