SCHEMBL6848360

SCHEMBL6848360

Cc1cc(C)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
JAK2 O60674 1/20 0.53
MITF O75030 1/20 0.53
PAX8 Q06710 1/20 0.53
ALDH1A1 P00352 6/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.49
ACHE P22303 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL5988773 0.84 ALDH1A1 (0.53) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL5873486 0.84 KDM4E (0.54) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6846654 0.84 KMT2A (0.51) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL5909911 0.84 MEN1 (0.56) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL3763346 0.84 LMNA (0.58) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL8368774 0.83 KMT2A (0.50) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6846717 0.81 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL5873652 0.81 KMT2A (0.51) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7761439 0.81 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6600636 0.79 HTT (0.53) KMT2AMEN1MAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KMT2A 3246/4885MEN1 4396/4885MAPT 899/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KMT2A 3246/4885MEN1 4396/4885MAPT 899/4885

“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.