SCHEMBL20061844

SCHEMBL20061844

CCNc1cc(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 5/20 0.47
MAPT P10636 8/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
GPR174 Q9BXC1 2/20 0.42
POLB P06746 2/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CA P42336 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
SCHEMBL17937089 0.91 POLB (0.40) DCTPP1MAPTALDH1A1LMNAMEN1
SCHEMBL17937093 0.89 MAPT (0.45) DCTPP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17937154 0.86 DCTPP1 (0.46) DCTPP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17937214 0.85 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNACYP2C9
SCHEMBL9301599 0.85 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNACYP2C9
SCHEMBL23970928 0.80 USP30 (0.47)
SCHEMBL30158862 0.80 USP30 (0.44) GPR174
SCHEMBL3622499 0.78 MAPK1 (0.65) DCTPP1MAPTALDH1A1LMNACYP2C9
SCHEMBL4444816 0.77 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAGPR174
SCHEMBL17937129 0.76 LMNA (0.44) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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 (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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X DCTPP1 3508/4885MAPT 230/4885ALDH1A1 2197/4885

“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.