SCHEMBL1715656

SCHEMBL1715656

NOC(Cc1ccccc1)c1c[nH]nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.40
CYP1A2 P05177 1/20 0.40
EPHX1 P07099 1/20 0.37
IDO1 P14902 3/20 0.36
TDO2 P48775 2/20 0.36
SLC6A2 P23975 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PSAT1 Q9Y617 2/20 0.33
ANPEP P15144 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL10632921 0.83 CYP1A2 (0.36) CYP1A2EPHX1IDO1SLC6A2TAAR1
SCHEMBL194644 0.80 CYP1A2 (0.53) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL2652668 0.78 CYP1A2 (0.39) SRRCYP1A2EPHX1IDO1SLC6A2
SCHEMBL2652667 0.77 CYP1A2 (0.38) SRRCYP1A2EPHX1SLC6A2TAAR1
SCHEMBL19526 0.75 CYP1A2 (0.37) SRRCYP1A2EPHX1SLC6A2TAAR1
SCHEMBL20262079 0.74 EPHX1 (0.55) SRRCYP1A2EPHX1ALPIPKM
SCHEMBL10793187 0.72 CYP1A2 (0.35) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL1369775 0.72 SIGMAR1 (0.37) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL1520793 0.71 IDO1 (0.50) SRREPHX1IDO1TDO2SLC6A2
SCHEMBL11066730 0.68 RCE1 (0.37) CYP1A2IDO1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 SRR 273/4885CYP1A2 2984/4885EPHX1 201/4885

“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.