SCHEMBL440455

SCHEMBL440455

Fc1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4F)nc3c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MPL P40238 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 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
SCHEMBL13458667 0.86 MAP4K1 (0.46) MAP4K1NPC1RAB9AL3MBTL1MEN1
SCHEMBL440405 0.85 MEN1 (0.40) RAB9AMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL13458974 0.83 TOP1 (0.46) ADORA2AADORA1ESR1ESR2TOP1
SCHEMBL7610922 0.83 ACACA (0.53) NPC1L3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL13458947 0.82 ACACA (0.41) MEN1MAPK1KMT2ASMN1; SMN2TDP1
SCHEMBL23942 0.81 TOP1 (0.50) RAB9AL3MBTL1MEN1MAPK1KMT2A
SCHEMBL12112655 0.80 ACACA (0.51) L3MBTL1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL27752791 0.80 TOP1 (0.49) RAB9AL3MBTL1MEN1MAPK1KMT2A
SCHEMBL1228342 0.79 ENPP3 (0.45) NPC1RAB9AMEN1PKMMAPK1
SCHEMBL3354791 0.79 TOP1 (0.57) L3MBTL1MAPK1ADORA2AADORA1TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436341-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-07 US disclosed
US-8436341-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-07 US disclosed
US-8309731-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 US disclosed
US-8309731-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 US disclosed
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
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-19 US disclosed
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-19 US disclosed
WO-2010075379-A2 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-01 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 (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-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR MAP4K1 2713/4885NPC1 3238/4885RAB9A 359/4885
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR MAP4K1 2675/4885NPC1 3300/4885RAB9A 310/4885

“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.