SCHEMBL6526033

SCHEMBL6526033

O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
NPC1 O15118 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
RAB9A P51151 3/20 0.70
KDM4E B2RXH2 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
TRPA1 O75762 5/20 0.68
TRPM8 Q7Z2W7 3/20 0.68
LMNA P02545 3/20 0.63
ALDH1A1 P00352 5/20 0.58
POLB P06746 2/20 0.58
ATM Q13315 2/20 0.58
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57
TRPM2 O94759 2/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL6526030 1.00 MAPT (0.70) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6097507 0.88 MEN1 (0.75) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8064094 0.86 MEN1 (0.61) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8048921 0.86 MEN1 (0.61) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8048925 0.86 MEN1 (0.61) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28947487 0.86 TRPM2 (0.67) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28947486 0.86 TRPM2 (0.67) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8064096 0.86 MEN1 (0.61) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8635718 0.83 TRPA1 (0.78) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8635715 0.83 TRPA1 (0.78) MAPTMEN1KMT2ANPC1SMN1; 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
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US claimed
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US disclosed
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 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-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS NAAA, ELANE, APEH MAPT 3467/4885MEN1 3484/4885KMT2A 1670/4885

“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.