SCHEMBL1833677

SCHEMBL1833677

CNCCc1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
LPO P22079 1/20 0.39
NAMPT P43490 1/20 0.38
OPRK1 P41145 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL15639441 0.89 FDPS (0.39) FDPSMEN1KMT2AHRH3LMNA
SCHEMBL7154948 0.83 FDPS (0.48) FDPSMEN1KMT2AALDH1A1LPO
SCHEMBL13192554 0.81 MEN1 (0.40) FDPSMEN1KMT2ALPONAMPT
Bromide SCHEMBL29657458 0.81 FDPS (0.47) FDPSMEN1KMT2ALMNALPO
SCHEMBL18236753 0.79 OPRK1 (0.43) FDPSMEN1KMT2ALMNAALDH1A1
SCHEMBL18997674 0.79 FDPS (0.41) FDPSMEN1KMT2AHRH3LPO
SCHEMBL46655 0.79
SCHEMBL2398203 0.79 FDPS (0.46) FDPSMEN1KMT2AALDH1A1LPO
SCHEMBL7166348 0.79 FDPS (0.46) FDPSMEN1KMT2AALDH1A1LPO
SCHEMBL4063363 0.78 FDPS (0.48) FDPSMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
EP-2321364-A2 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS Novomer, Inc. (US) 2011-05-18 EP disclosed
WO-2010022388-A2 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2010-02-25 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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT FDPS 4187/4885MEN1 1318/4885KMT2A 275/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 FDPS 804/4885MEN1 4080/4885KMT2A 3544/4885

“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.