SCHEMBL10076406

SCHEMBL10076406

CNC(Cc1ccc(C)cc1)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
MDM4 O15151 1/20 0.43

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
SCHEMBL26079891 0.89 ATM (0.48) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL14190610 0.87 ATM (0.46) ATML3MBTL1ALDH1A1ESR1ESR2
SCHEMBL28858145 0.87 ATM (0.46) ATML3MBTL1ALDH1A1ESR1ESR2
SCHEMBL25754067 0.86 ATM (0.58) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL5614085 0.86 ESR1 (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL24445702 0.86 ESR1 (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL5614087 0.86 ESR1 (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7431323 0.85 ESR1 (0.59) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL12379269 0.85 ATM (0.46) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL13398330 0.85 LNPEP (0.48) ATML3MBTL1ALDH1A1THRBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 US disclosed
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 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 (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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ATM 2278/4885L3MBTL1 3737/4885ALDH1A1 399/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ATM 2278/4885L3MBTL1 3737/4885ALDH1A1 399/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ATM 2278/4885L3MBTL1 3737/4885ALDH1A1 399/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME ATM 4052/4885L3MBTL1 3102/4885ALDH1A1 2474/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME ATM 4052/4885L3MBTL1 3102/4885ALDH1A1 2474/4885

“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.