Sugi Predict

Sugi Predict / Compounds / SCHEMBL602875

SCHEMBL602875

SCHEMBL602875

COC1CCC(N2CCC(Nc3cc(Br)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 7/20 0.35
▸ POLB P06746 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ WNK1 Q9H4A3 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL603526 1.00 MAPK1 (0.39) MAPK1NPSR1MAPTPOLBMEN1
SCHEMBL602874 1.00 MAPK1 (0.39) MAPK1NPSR1MAPTPOLBMEN1
SCHEMBL601960 0.89 MAPK1 (0.39) MAPK1NPSR1MAPTPOLBMEN1
SCHEMBL601796 0.89 MAPK1 (0.39) MAPK1NPSR1MAPTPOLBMEN1
SCHEMBL601797 0.89 MAPK1 (0.39) MAPK1NPSR1MAPTPOLBMEN1
SCHEMBL4897955 0.86 MAPK1 (0.41) MAPK1NPSR1MAPTMEN1KMT2A
SCHEMBL601154 0.83 PIK3CA (0.36) —
SCHEMBL601155 0.83 PIK3CA (0.36) —
SCHEMBL601375 0.83 PIK3CA (0.36) —
SCHEMBL600462 0.80 MAPT (0.38) MAPK1NPSR1MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 — — EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 — — US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 — — US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 — — 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 (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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MAPK1 1242/4885NPSR1 16/4885MAPT 772/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MAPK1 1633/4885NPSR1 78/4885MAPT 593/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 MAPK1 2132/4885NPSR1 43/4885MAPT 607/4885

“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.