SCHEMBL3366446

SCHEMBL3366446

c1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.92
MEN1 O00255 1/20 0.92
HTT P42858 1/20 0.92
KMT2A Q03164 1/20 0.92
ACHE P22303 12/20 0.90
BCHE P06276 9/20 0.90
BACE1 P56817 2/20 0.90
GABRP O00591 1/20 0.71
GABRD O14764 1/20 0.71
APP P05067 1/20 0.71
GABRA1 P14867 1/20 0.71
GABRB1 P18505 1/20 0.71
GABRG2 P18507 1/20 0.71
GABRB3 P28472 1/20 0.71
GABRA5 P31644 1/20 0.71
GABRA3 P34903 1/20 0.71
GABRA2 P47869 1/20 0.71
GABRB2 P47870 1/20 0.71
GABRA4 P48169 1/20 0.71
GABRE P78334 1/20 0.71

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
SCHEMBL8022948 0.97 MEN1 (0.97) KDM4EMEN1HTTKMT2AACHE
SCHEMBL15155625 0.89 KDM4E (0.74) KDM4EMEN1HTTKMT2AACHE
SCHEMBL3361969 0.88 KDM4E (0.72) KDM4EMEN1HTTKMT2AACHE
SCHEMBL29062227 0.88 KDM4E (0.72) KDM4EMEN1HTTKMT2AACHE
SCHEMBL13480595 0.87 BCHE (0.76) ACHEBCHEBACE1GABRPGABRD
SCHEMBL12043399 0.86 BCHE (0.97) ACHEBCHEBACE1GABRPGABRD
SCHEMBL16223230 0.86 ACHE (0.72) KDM4EMEN1HTTKMT2AACHE
SCHEMBL12043397 0.85 BCHE (0.95) ACHEBCHEBACE1GABRPGABRD
SCHEMBL12043400 0.85 BCHE (0.95) ACHEBCHEBACE1GABRPGABRD
SCHEMBL9257216 0.84 ACHE (0.76) KDM4EMEN1HTTKMT2AACHE

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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
WO-2012121998-A1 BLOOD COLLECTION DEVICE CONTAINING LYSOPHOSPHOLIPASE INHIBITOR BECTON, DICKINSON AND COMPANY (US) 2012-09-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (3 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 KDM4E 2095/4885MEN1 4080/4885HTT 2307/4885
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KDM4E 192/4885MEN1 3638/4885HTT 344/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KDM4E 861/4885MEN1 4701/4885HTT 1522/4885

“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.