SCHEMBL14975285

SCHEMBL14975285

COc1cc(N(C)C)c2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 1/20 0.48
CDC25B P30305 3/20 0.45
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
NQO1 P15559 1/20 0.42
NQO2 P16083 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 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
SCHEMBL1408683 0.81 CYP1A2 (0.44) CYP1A2CYP2A6CDC25BCASP3SENP7
SCHEMBL4600762 0.80 CYP1A2 (0.52) CYP1A2CYP2A6MAPTKDM4ECYP3A4
SCHEMBL29469023 0.76 CDC25B (0.50) CYP1A2CYP2A6CDC25BCASP3SENP7
SCHEMBL2201994 0.76 CDC25B (0.50) CYP1A2CYP2A6CDC25BCASP3SENP7
SCHEMBL29955307 0.76 CDC25B (0.50) CYP1A2CYP2A6CDC25BCASP3SENP7
SCHEMBL1161428 0.75 CYP2A6 (0.57) CYP1A2CYP2A6CDC25BCASP3SENP7
SCHEMBL5344059 0.75 ALDH1A1 (0.48) CYP1A2CYP2A6NQO1MAPTKDM4E
SCHEMBL5782272 0.75 CYP1A2 (0.54) CYP1A2CYP2A6CDC25BCASP3SENP7
SCHEMBL16494278 0.75 CYP2A6 (0.57) CYP1A2CYP2A6MAPTKDM4EALDH1A1
SCHEMBL443362 0.75 NQO1 (0.57) CYP1A2CYP2A6CDC25BCASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782916-B1 CARBOXY X RHODAMINE ANALOGS PROMEGA CORP (US) 2018-02-28 EP disclosed
US-20160320372-A1 CARBOXY X RHODAMINE ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-11-03 US disclosed
US-20150260725-A1 CARBOXY X RHODAMINE ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-09-17 US disclosed
US-9056885-B2 Carboxy X rhodamine analogs PROMEGA CORPORATION (US) 2015-06-16 US disclosed
EP-2782916-A1 CARBOXY X RHODAMINE ANALOGS Promega Corporation (US) 2014-10-01 EP disclosed
WO-2013078244-A1 CARBOXY X RHODAMINE ANALOGS PROMEGA CORPORATION (US) 2013-05-30 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 (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-20160320372-A1 CARBOXY X RHODAMINE ANALOGS PRCP, CPA3, CPA4 CYP1A2 1853/4885CYP2A6 1896/4885CDC25B 4176/4885

“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.