SCHEMBL8469198

SCHEMBL8469198

CC(C)(C)OC(=O)Nc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.50
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ ABCC1 P33527 1/20 0.41

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
SCHEMBL26972830 0.90 ABCC1 (0.52) KCNMA1KMT2AMEN1MAPTABCB1
SCHEMBL6433978 0.89 RXFP1 (0.54) KCNMA1NPC1RAB9AMAPTNPSR1
SCHEMBL8231247 0.87 ALDH1A1 (0.58) KCNMA1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31365089 0.87 ALDH1A1 (0.58) KCNMA1KMT2AALDH1A1NPC1RAB9A
SCHEMBL15160073 0.86 HTT (0.53) KMT2AALDH1A1NPC1RAB9AMAPK1
SCHEMBL5557413 0.85 NPC1 (0.48) KCNMA1KMT2AMEN1ALDH1A1NPC1
SCHEMBL29799606 0.85 KCNMA1 (0.53) KCNMA1KMT2AMEN1ALDH1A1NPC1
SCHEMBL29430688 0.85 ABCB1 (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL975856 0.85 ABCB1 (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL14740824 0.85 KMT2A (0.45) KCNMA1KMT2AMEN1ALDH1A1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795256-B FGFR inhibitors for treatment of cancer 布里奇恩生物科学公司 2024-05-03 — — CN disclosed
CN-113795256-A FGFR inhibitors for the treatment of cancer 布里奇恩生物科学公司 2021-12-14 — — CN disclosed
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 — — US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 — — US disclosed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 — — EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 — — EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 — — US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 — — WO 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 KCNMA1 4587/4885KMT2A 3292/4885MEN1 4449/4885

“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.

Send feedback