SCHEMBL5256338

SCHEMBL5256338

CCOC(=O)c1cc2ccccc2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 2/20 0.52
GALR2 O43603 1/20 0.52
MITF O75030 1/20 0.52
HSP90AA1 P07900 1/20 0.52
XBP1 P17861 1/20 0.52
CCR6 P51684 1/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.47
CDC25B P30305 1/20 0.47
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL4677098 0.83 TDP1 (0.49) ALDH1A1SMN1; SMN2HPGDNPSR1MAPT
SCHEMBL29389855 0.82 TSHR (0.70) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8927648 0.82 TSHR (0.70) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1030554 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAHPGDNPSR1
SCHEMBL27474529 0.81 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1523174 0.81 ALDH1A1 (0.67) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL397015 0.80 ALDH1A1 (0.56) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4268650 0.80 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL10900936 0.79 TSHR (0.66) TSHRALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL15847247 0.79 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100432055-C Tricyclic protein kinase inhibitors WYETH CORP (US) 2008-11-12 CN disclosed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
CN-1262541-C Tricyclic protein kinase inhibitors WYETH CORP (US) 2006-07-05 CN disclosed
CN-1704404-A Tricyclic protein kinase inhibitors WYETH CORP (US) 2005-12-07 CN disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US disclosed
CN-1437584-A Tricyclic protein kinase inhibitors WYETH CORP (US) 2003-08-20 CN disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 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 (3 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 TSHR 2485/4885ALDH1A1 3285/4885SMN1; SMN2 4516/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 TSHR 2623/4885ALDH1A1 3511/4885SMN1; SMN2 4638/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 TSHR 1106/4885ALDH1A1 4120/4885SMN1; SMN2 3628/4885

“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.