SCHEMBL3393493

SCHEMBL3393493

CNC(Sc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11097893 0.77 TDP1 (0.48) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL874253 0.75 HTT (0.62) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL6421123 0.73 MAPK1 (0.52) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL7353270 0.73 ALDH1A1 (0.49) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL3931538 0.72 MAPT (0.50) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL11569642 0.72 KMT2A (0.44) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5491118 0.72 TDP1 (0.43) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL11867244 0.71 MEN1 (0.46) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL7297638 0.71 MAPT (0.48) TRPA1MEN1KMT2AMAPTMAPK1
SCHEMBL11326501 0.70 MAPT (0.49) MEN1KMT2AMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560558-B1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2010-12-29 — — EP claimed
EP-1560558-A4 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2008-09-24 — — EP claimed
JP-2006508103-A — — 2006-03-09 — — JP claimed
US-6987090-B2 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2006-01-17 — — US claimed
EP-1560558-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG Household & Health Care Ltd. (KR) 2005-08-10 — — EP claimed
WO-2004041221-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-21 — — WO claimed
US-20040087496-A1 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-06 — — US claimed
EP-1560558-B1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2010-12-29 — — EP disclosed
EP-1560558-A4 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2008-09-24 — — EP disclosed
US-6987090-B2 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2006-01-17 — — US disclosed
EP-1560558-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG Household & Health Care Ltd. (KR) 2005-08-10 — — EP disclosed
WO-2004041221-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-21 — — WO disclosed
US-20040087496-A1 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-06 — — 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-20040087496-A1 Use of 3-position cyclosporin derivatives for hair growth TPMT, BHMT2, SUCLG1 TRPA1 3189/4885MEN1 4071/4885KMT2A 2753/4885

“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.

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