SCHEMBL6866138

SCHEMBL6866138

Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.78
▸ MEN1 O00255 5/20 0.78
▸ PTGS1 P23219 3/20 0.67
▸ FFAR1 O14842 1/20 0.61
▸ PKM P14618 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ HPSE Q9Y251 1/20 0.59
▸ POLB P06746 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ULK1 O75385 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MITF O75030 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ KDM4C Q9H3R0 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54

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
SCHEMBL2127722 0.92 PTGS1 (0.77) KMT2AMEN1PTGS1PKML3MBTL1
SCHEMBL11593046 0.90 PTGS1 (0.75) KMT2AMEN1PTGS1PKMPOLB
SCHEMBL7606386 0.89 KMT2A (0.70) KMT2AMEN1PTGS1FFAR1PKM
SCHEMBL17744815 0.89 KMT2A (0.73) KMT2AMEN1PTGS1PKMPOLB
SCHEMBL31171945 0.88 PTGS1 (0.72) KMT2AMEN1PTGS1PKMPOLB
SCHEMBL309467 0.88 PTGS1 (0.72) KMT2AMEN1PTGS1PKMPOLB
SCHEMBL1352405 0.88 PTGS1 (0.68) KMT2AMEN1PTGS1POLBLMNA
SCHEMBL9067770 0.88 KMT2A (1.00) KMT2AMEN1FFAR1PKML3MBTL1
SCHEMBL13381189 0.87 MEN1 (0.67) KMT2AMEN1PTGS1PKML3MBTL1
SCHEMBL6153699 0.87 PTGS1 (0.67) KMT2AMEN1PTGS1PKMPOLB

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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 — — US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 — — US disclosed
US-6808766-B1 ALIGNMENT AGENT COMPRISING POLYURETHANE OR POLYUREA, USED IN ALIGNMENT OF LIQUID CRYSTAL MOLECULES THAT FORM LIQUID CRYSTAL ALIGNMENT FILM BY IRRADIATING THIN ALIGNMENT FILM FORMED ON SUBSTRATE WITH POLARIZED LIGHT OR ELECTRON RAYS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-26 — — US disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 — — EP 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX KMT2A 3310/4885MEN1 4396/4885PTGS1 94/4885

“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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