SCHEMBL10079161

SCHEMBL10079161

Cc1ccc(C(=O)CN)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
ALDH1A1 P00352 7/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
MAPT P10636 4/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
AGTR1 P30556 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MAPK1 P28482 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL2756245 0.87 TSHR (0.70) TSHRALDH1A1CES2CES1MAPT
SCHEMBL7047805 0.85 TSHR (0.68) TSHRALDH1A1CES2CES1MAPT
SCHEMBL2054452 0.84 TSHR (0.66) TSHRALDH1A1CES2CES1MAPT
SCHEMBL8519466 0.83 TSHR (0.64) TSHRALDH1A1CES2CES1MAPT
SCHEMBL10956729 0.83 TSHR (0.64) TSHRALDH1A1CES2CES1MAPT
SCHEMBL1086346 0.81 TSHR (0.72) TSHRALDH1A1CES2CES1MAPT
SCHEMBL30686023 0.81 TSHR (0.72) TSHRALDH1A1CES2CES1MAPT
SCHEMBL15505486 0.81 TSHR (0.67) TSHRALDH1A1CES2CES1MAPT
SCHEMBL2556953 0.81 TSHR (0.62) TSHRALDH1A1CES2CES1MAPT
SCHEMBL16959576 0.81 TSHR (0.71) TSHRALDH1A1CES2CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 EP 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 (4 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-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 TSHR 3263/4885ALDH1A1 25/4885CES2 1491/4885
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 TSHR 3652/4885ALDH1A1 2270/4885CES2 4012/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 TSHR 3652/4885ALDH1A1 2270/4885CES2 4012/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 TSHR 3565/4885ALDH1A1 2142/4885CES2 3879/4885

“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.