SCHEMBL1715413

SCHEMBL1715413

NOCc1ccccc1OC(F)F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.58
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
TNF P01375 1/20 0.40
AGXT P21549 1/20 0.40
ALKBH1 Q13686 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
Hydrochloric Acid SCHEMBL1715850 0.98 IDO1 (0.59) IDO1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3614024 0.81 SLC6A2 (0.41) IDO1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12016057 0.81 IDO1 (0.44) IDO1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL192791 0.80 SLC6A2 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12936617 0.78 TNF (0.42) IDO1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL34463098 0.77 TAAR1 (0.58) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9843826 0.77 TAAR1 (0.58) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL18213799 0.77 TNF (0.41) IDO1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3366569 0.76 TNF (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1434466 0.76 SLC6A2 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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 9 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
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
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
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
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US 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 IDO1 3029/4885CYP2D6 1495/4885SLC6A2 3942/4885

“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.