SCHEMBL4436893

SCHEMBL4436893

Cc1ccccc1-c1ccncc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.44
GPBAR1 Q8TDU6 6/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
S1PR1 P21453 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL30564320 0.81 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL2360248 0.81 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL27350487 0.81 ALDH1A1 (0.48) ALDH1A1MAPTGPBAR1SMN1; SMN2MAOA
SCHEMBL28763126 0.81 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2GAAMAOA
SCHEMBL12098050 0.79 HTT (0.48) ALDH1A1MAPTGPBAR1SMN1; SMN2GAA
SCHEMBL29973546 0.78 ALDH1A1 (0.61) ALDH1A1MAPTHTT
SCHEMBL20189898 0.78 ALDH1A1 (0.61) ALDH1A1MAPTHTT
SCHEMBL319113 0.77 HSD17B10 (0.52) HSD17B10ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL19721401 0.77 GRM4 (0.49) GPBAR1TSHRSMN1; SMN2MAOAMAOB
SCHEMBL28913472 0.75 ALDH1A1 (0.49) ALDH1A1MAPTGAAHTTLMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2015-06-04 US disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN disclosed
EP-2681194-B1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8987307-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2015-03-24 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2012-09-13 US disclosed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO 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 (5 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-10385022-B2 3-amino-pyridines as GPBAR1 agonists GPBAR1, ADRA1B, GPR119 HSD17B10 2580/4885ALDH1A1 446/4885MAPT 3894/4885
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 HSD17B10 2580/4885ALDH1A1 446/4885MAPT 3894/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 HSD17B10 4209/4885ALDH1A1 2176/4885MAPT 4106/4885
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 HSD17B10 2580/4885ALDH1A1 446/4885MAPT 3894/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 HSD17B10 4209/4885ALDH1A1 2176/4885MAPT 4106/4885

“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.