SCHEMBL10197472

SCHEMBL10197472

CNC(Cc1ccc(-c2ccccc2)cc1)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.60
HDAC6 Q9UBN7 5/20 0.60
ATM Q13315 2/20 0.55
ALDH1A1 P00352 2/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MME P08473 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
SRR Q9GZT4 1/20 0.50
PSAT1 Q9Y617 1/20 0.50
TSHR P16473 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 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
SCHEMBL7450599 1.00 HDAC1 (0.60) HDAC1HDAC6ATMALDH1A1THRB
SCHEMBL7450602 1.00 HDAC1 (0.60) HDAC1HDAC6ATMALDH1A1THRB
SCHEMBL2734812 0.92 ATM (0.63) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8724389 0.92 ATM (0.63) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL3725043 0.92 ATM (0.63) ATMALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7327532 0.90 ATM (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8724387 0.90 ATM (0.61) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL21184225 0.86 ALDH1A1 (0.53) HDAC1HDAC6ATMALDH1A1THRB
SCHEMBL12331937 0.85 MME (0.63) MMEACE2ACECPA1SRR
SCHEMBL7900074 0.85 MME (0.63) MMEACE2ACECPA1SRR

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 2 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-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 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 (1 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-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME HDAC1 811/4885HDAC6 1275/4885ATM 4052/4885

“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.