SCHEMBL440401

SCHEMBL440401

Clc1ccc2c(-c3ccccc3)cc3c(-c4ccccc4)cc(Cl)nc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
ADORA1 P30542 2/20 0.41
GMNN O75496 1/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPK1 P28482 1/20 0.38
METAP2 P50579 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL439446 0.93 KDM4E (0.43) KDM4ELMNAADORA1GMNNCYP1A2
SCHEMBL31046570 0.93 KDM4E (0.43) KDM4ELMNAADORA1GMNNCYP1A2
SCHEMBL30866395 0.86 KDM4E (0.50) KDM4ELMNAADORA1ADORA2AHSP90AA1
SCHEMBL17973332 0.83 LMNA (0.51) KDM4ELMNAADORA1CYP1A2TSHR
SCHEMBL18455611 0.82 ADORA1 (0.43) KDM4ELMNAADORA1GMNNCYP1A2
SCHEMBL17396322 0.82 TOP2A (0.41) KDM4ELMNAHSP90AA1HSP90AB1MAPK1
SCHEMBL23406886 0.82 ALDH1A1 (0.44) KDM4ELMNAADORA1GMNNCYP1A2
SCHEMBL31184250 0.82 ALDH1A1 (0.44) KDM4ELMNAADORA1GMNNCYP1A2
SCHEMBL22686770 0.81 CCR1 (0.48) KDM4ELMNAGMNNTSHRMTOR
SCHEMBL31096890 0.81 CCR1 (0.48) KDM4ELMNAGMNNTSHRMTOR

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-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 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-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR KDM4E 1125/4885LMNA 2695/4885ADORA1 2107/4885

“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.