SCHEMBL6443898

SCHEMBL6443898

COc1cc([N+](=O)[O-])c2oc(C(=O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PIM1 P11309 1/20 0.48
GPR35 Q9HC97 2/20 0.45
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 2/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6448421 0.84 MAPT (0.47) MAPTALDH1A1KDM4EGPR35RAB9A
SCHEMBL1983840 0.78 GPR35 (0.68) PIM1GPR35
SCHEMBL11746052 0.78 PIM1 (0.61) MAPTALDH1A1KDM4EPIM1GPR35
SCHEMBL15200325 0.78 PIM1 (0.54) MAPTALDH1A1KDM4EPIM1GPR35
SCHEMBL15199255 0.78 MAPT (0.40) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL11749303 0.77 PIM1 (0.52) MAPTALDH1A1KDM4EPIM1GPR35
SCHEMBL2893781 0.75 PIM1 (0.62) MAPTALDH1A1PIM1RAB9ANPC1
SCHEMBL3936503 0.74 MAOA (0.50) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL2897463 0.74 GPR35 (0.68) MAPTALDH1A1GPR35RAB9ANPC1
SCHEMBL10753545 0.72 TPMT (0.55) MAPTALDH1A1KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
EP-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 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 (2 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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 MAPT 4120/4885ALDH1A1 2771/4885KDM4E 2490/4885
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 MAPT 4253/4885ALDH1A1 1004/4885KDM4E 3597/4885

“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.