SCHEMBL81972

SCHEMBL81972

ClCCCc1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
IDO1 P14902 4/20 0.39
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39

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
SCHEMBL9183333 0.86 TP53 (0.46) TP53IDO1CYP3A4HIF1AMEN1
SCHEMBL7988972 0.83 IDO1 (0.54) TP53IDO1CYP3A4CYP2C9MAPK1
SCHEMBL81974 0.81 IDO1 (0.42) TP53IDO1CYP3A4HIF1AMEN1
SCHEMBL16956209 0.81 TP53 (0.41) TP53IDO1CYP3A4HIF1AMEN1
SCHEMBL8641170 0.81 MEN1 (0.44) TP53IDO1CYP3A4HIF1AMEN1
SCHEMBL30645684 0.81 MEN1 (0.44) TP53IDO1CYP3A4HIF1AMEN1
SCHEMBL28985925 0.79 ALOX15 (0.61) IDO1CYP3A4HIF1AMEN1KMT2A
SCHEMBL10674392 0.79 TP53 (0.39) TP53IDO1CYP3A4HIF1AMEN1
SCHEMBL6685016 0.79 TP53 (0.42) TP53CYP3A4MEN1KMT2AMAPT
SCHEMBL11239272 0.78 SIRT2 (0.38) TP53IDO1CYP3A4HIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C TP53 968/4885IDO1 5/4885CYP3A4 123/4885

“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.