SCHEMBL2980183

SCHEMBL2980183

COC(=O)C(c1ccccc1)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
PKM P14618 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TACR3 P29371 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2977912 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TAAR1PKM
SCHEMBL14401056 0.78 MITF (0.40) ALDH1A1LMNAPKMMAPTNPSR1
SCHEMBL6173265 0.77 ADA (0.59) ALDH1A1KMT2AMEN1LMNAOPRM1
SCHEMBL6385922 0.76 SOS1 (0.41) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL14400982 0.76 GAA (0.47) ALDH1A1KMT2AMEN1LMNACYP2C9
SCHEMBL18516673 0.74 ADA (0.46) ALDH1A1KMT2AMEN1LMNATAAR1
SCHEMBL9146622 0.74 PKM (0.39) ALDH1A1KMT2AMEN1TAAR1PKM
SCHEMBL21198912 0.71 PKM (0.37) ALDH1A1KMT2AMEN1TAAR1PKM
SCHEMBL9327812 0.70 CYP26A1 (0.58) ALDH1A1KMT2AMEN1LMNAOPRK1
SCHEMBL2983258 0.70 BCHE (0.37) ALDH1A1KMT2AMEN1LMNATAAR1

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
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
CN-101282941-A Imidazole compounds for the treatment of neurological disorders PFIZER (US) 2008-10-08 CN disclosed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP disclosed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 ALDH1A1 807/4885KMT2A 2322/4885MEN1 485/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 ALDH1A1 807/4885KMT2A 2322/4885MEN1 485/4885

“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.