SCHEMBL1033011

SCHEMBL1033011

Clc1cc(Cl)cc(-c2ccc(Br)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.50
▸ MAOB P27338 2/20 0.50
▸ GRM5 P41594 5/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ PKM P14618 1/20 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
SCHEMBL31689000 0.83 KDM1A (0.54) KDM1AMAOBGRM5KMO
SCHEMBL2319868 0.82 KDM1A (0.49) KDM1AMAOBMEN1MAPTHPGD
SCHEMBL1033752 0.81 KDM1A (0.54) KDM1AMAOBGRM5CYP1A2KMO
SCHEMBL19933560 0.78 KDM1A (0.46) KDM1AMAOBMEN1MAPTHPGD
SCHEMBL19933574 0.78 NPC1 (0.52) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL1416706 0.76 NPC1 (0.55) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL19243067 0.76 CCR1 (0.58) KDM1AMAOBGRM5MEN1MAPT
SCHEMBL13917369 0.75 HSD17B1 (0.48) KDM1AMAOBMEN1MAPTHPGD
SCHEMBL40864 0.75 KDM4E (0.46) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL19933556 0.74 MAP4K4 (0.48) KDM1AMAOBMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275409-A1 Bipiridine derivative and organic electroluminescence element containing the same Yamagata Promotional Organization for Industrial Technology (JP) 2011-01-19 — — EP disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 — — US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 — — US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 — — 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-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 KDM1A 2647/4885MAOB 446/4885GRM5 3382/4885

“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.

Send feedback