SCHEMBL4151648

SCHEMBL4151648

CNc1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 4/20 0.55
KCNMA1 Q12791 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
GPR35 Q9HC97 1/20 0.45
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
LCK P06239 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2524312 0.88 TDP1 (0.58) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL27395653 0.83 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL8262644 0.83 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL27416975 0.83 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL3045742 0.81 TSHR (0.56) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL11591038 0.80 KCNMA1 (0.65) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL18725484 0.80 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL102957 0.79 MAPT (0.49) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL4725240 0.79 TDP1 (0.48) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1
SCHEMBL4725194 0.79 TDP1 (0.48) TSHRSMN1; SMN2HSD17B10TDP1KCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed
WO-2020200291-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2020-10-08 WO disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101454292-A Bicyclic benzimidazole compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-06-10 CN disclosed
CN-101405000-A 2-imino-benzimidazoles ABBOTT LAB (US) 2009-04-08 CN disclosed
EP-2004613-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-12-24 EP disclosed
EP-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 EP disclosed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 WO disclosed
US-4117165-A ANTIULCER, HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-09-26 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 TSHR 467/4885SMN1; SMN2 3250/4885HSD17B10 3994/4885
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 TSHR 2626/4885SMN1; SMN2 824/4885HSD17B10 1043/4885

“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.