SCHEMBL13381602

SCHEMBL13381602

COc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.76
▸ ALDH1A1 P00352 4/20 0.68
▸ ALOX15 P16050 3/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ MAPT P10636 4/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ HTT P42858 1/20 0.64
▸ LMNA P02545 1/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ POLB P06746 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ USP2 O75604 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ NR2E3 Q9Y5X4 1/20 0.61

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
SCHEMBL12230073 0.86 NPSR1 (0.67) KMT2AALDH1A1ALOX15MAPTMAPK1
SCHEMBL16486900 0.86 SMN1; SMN2 (0.74) KMT2AALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL20952220 0.85 POLB (0.67) KMT2AALDH1A1ALOX15MAPTMAPK1
SCHEMBL16208766 0.80 CYP3A4 (0.72) KMT2AALDH1A1ALOX15MAPTMAPK1
SCHEMBL20952199 0.79 KMT2A (0.65) KMT2AALDH1A1ALOX15MAPTMAPK1
SCHEMBL15606898 0.78 TP53 (0.83) KMT2AALOX15MAPTMAPK1HTT
SCHEMBL16486439 0.78 POLB (0.80) KMT2AALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL19520573 0.77 KMT2A (0.62) KMT2AALDH1A1MAPTMAPK1HTT
SCHEMBL11919993 0.77 KMT2A (0.77) KMT2AALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL16486369 0.76 TP53 (0.86) KMT2AALDH1A1ALOX15L3MBTL1MAPT

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-8450368-B2 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) 2013-05-28 — — US disclosed
US-8450368-B2 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) 2013-05-28 — — 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-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

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 3310/4885ALDH1A1 802/4885ALOX15 51/4885

“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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