SCHEMBL18094643

SCHEMBL18094643

O=Cc1cc(-c2ccccc2)ccc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.49
PELI1 Q96FA3 2/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TOP1 P11387 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PGR P06401 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
HDAC2 Q92769 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPM2 O94759 1/20 0.44
PTGS2 P35354 2/20 0.44
PTPRC P08575 1/20 0.44

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
SCHEMBL16586874 0.90 ALOX5 (0.43) TDP2PELI1MAPTALDH1A1RAB9A
SCHEMBL18605359 0.85 MAPT (0.52) TDP2PELI1MAPTALDH1A1NPC1
SCHEMBL7930381 0.83 ERN1 (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7838339 0.83 LMNA (0.64) TDP2MAPTALDH1A1NPC1RAB9A
SCHEMBL2009026 0.81 TSHR (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29526232 0.81 TSHR (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18094675 0.81 TRPM2 (0.48) TDP2PELI1MAPTALDH1A1NFE2L2
Formic Acid SCHEMBL27530611 0.80 ALDH1A1 (0.55) PELI1MAPTALDH1A1NPC1RAB9A
SCHEMBL30525133 0.79 ERN1 (0.69) PELI1MAPTALDH1A1NPC1LMNA
SCHEMBL30469335 0.79 TSHR (0.64) MAPTALDH1A1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046902-B1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2018-08-08 EP disclosed
US-9630935-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2017-04-25 US disclosed
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2016-09-29 US disclosed
CN-105683153-A Compositions for the treatment of hypertension and/or fibrosis 维克图斯生物系统有限公司 2016-06-15 CN 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-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS TGFB1, REN, TGFB2 TDP2 4173/4885PELI1 4794/4885MAPT 2835/4885

“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.