SCHEMBL13219611

SCHEMBL13219611

Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.75
▸ KMT2A Q03164 7/20 0.67
▸ MEN1 O00255 6/20 0.67
▸ NPC1 O15118 5/20 0.67
▸ RAB9A P51151 5/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ MAPT P10636 4/20 0.67
▸ TP53 P04637 2/20 0.67
▸ PKM P14618 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ JAK2 O60674 1/20 0.61
▸ ALOX5 P09917 1/20 0.58
▸ F12 P00748 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL5867051 0.87 F12 (0.72) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL23258437 0.85 MAOB (0.56) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL23258475 0.85 MEN1 (0.69) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL23258256 0.79 MMP2 (0.57) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL2102040 0.79 NPC1 (0.56) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL6239637 0.79 POLB (0.58) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL23258715 0.79 MEN1 (0.57) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL8711467 0.76 ALOX5 (0.80) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14586769 0.76 MMP2 (0.50) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL13219526 0.76 JAK2 (1.00) KMT2AMEN1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 — — US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 — — 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-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP MAOB 108/4885KMT2A 3872/4885MEN1 506/4885

“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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