SCHEMBL1078553

SCHEMBL1078553

c1ccc(-c2ccc3ccc4cccnc4c3n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
LMNA P02545 7/20 0.61
CCR1 P32246 6/20 0.61
CCR5 P51681 6/20 0.61
CCR8 P51685 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
TP53 P04637 4/20 0.61
HTT P42858 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
ALOX15 P16050 3/20 0.61
MAPT P10636 3/20 0.61
HSP90AA1 P07900 2/20 0.61
HIF1A Q16665 2/20 0.61
MMP2 P08253 2/20 0.61
TSHR P16473 2/20 0.61
GMNN O75496 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MMP9 P14780 1/20 0.61
NFKB1 P19838 1/20 0.61

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
SCHEMBL19268817 0.96 KDM4E (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12817468 0.92 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL226209 0.92 KDM4E (0.73) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29413987 0.90 CCR1 (0.76) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22101154 0.90 CCR1 (0.76) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17899316 0.90 CCR1 (0.76) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13929667 0.88 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27064964 0.87 CCR1 (0.53) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3748390 0.86 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22281848 0.86 LMNA (0.46) KDM4ELMNACCR1CCR5CCR8

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116037211-A Cobalt-based complex catalyst and preparation method and application thereof 合肥工业大学 2023-05-02 CN claimed
US-20120329767-A1 Methods and Compositions for Treating Cancer INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2012-12-27 US claimed
EP-2448588-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER Université de Strasbourg (FR) 2012-05-09 EP claimed
WO-2011001109-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER UNIVERSITE DE STRASBOURG (FR) 2011-01-06 WO claimed
EP-0623125-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-09 EP claimed
WO-1993014080-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-22 WO claimed
CN-1074443-A The heterocyclic fungicides of bridging DU PONT (US) 1993-07-21 CN claimed
CN-116037211-A Cobalt-based complex catalyst and preparation method and application thereof 合肥工业大学 2023-05-02 CN disclosed
US-11316115-B2 Organic compound, display panel and display device WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2022-04-26 US disclosed
US-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2020-02-20 US disclosed
EP-3539971-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS Universidade de Santiago de Compostela (ES) 2019-09-18 EP disclosed
US-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 US disclosed
US-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 US disclosed
US-20120329767-A1 Methods and Compositions for Treating Cancer INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2012-12-27 US disclosed
US-20120329767-A1 Methods and Compositions for Treating Cancer INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2012-12-27 US disclosed
EP-2448588-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER Université de Strasbourg (FR) 2012-05-09 EP disclosed
WO-2011001109-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER UNIVERSITE DE STRASBOURG (FR) 2011-01-06 WO disclosed
WO-2011001109-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER UNIVERSITE DE STRASBOURG (FR) 2011-01-06 WO disclosed
EP-0623125-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-09 EP disclosed
WO-1993014080-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-22 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 (4 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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT SUN2, PAH, FARS2 KDM4E 488/4885LMNA 668/4885CCR1 4606/4885
US-20120329767-A1 Methods and Compositions for Treating Cancer TP53, VHL, HCCS KDM4E 2423/4885LMNA 1371/4885CCR1 1559/4885
US-11316115-B2 Organic compound, display panel and display device DRD1, OXER1, C1S KDM4E 3836/4885LMNA 3322/4885CCR1 143/4885
US-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS MYC, MYCBP, MCL1 KDM4E 2445/4885LMNA 3613/4885CCR1 3259/4885

“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.