SCHEMBL773149

SCHEMBL773149

NCC(O)COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.45
MAPT P10636 1/20 0.45
HSP90AB1 P08238 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL11241976 0.91 CHRNB2 (0.56) NPC1CHRNB2CHRNA4KMT2AMEN1
SCHEMBL14301108 0.87 SMN1; SMN2 (0.47) NPC1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL6482501 0.87 TSHR (0.57) NPC1CHRNB2CHRNA4KMT2AMEN1
SCHEMBL6482493 0.87 TSHR (0.57) NPC1CHRNB2CHRNA4KMT2AMEN1
SCHEMBL4331852 0.86 NPC1 (0.55) NPC1CHRNB2CHRNA4KMT2AMEN1
SCHEMBL7870934 0.84 CHRNB2 (0.57) NPC1CHRNB2CHRNA4KMT2AMEN1
SCHEMBL19683418 0.82 ALDH1A1 (0.62) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL773167 0.82 ALDH1A1 (0.62) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL19683313 0.82 ALDH1A1 (0.62) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11663123 0.81 GAA (0.63) KMT2AMEN1TDP1ALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 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 (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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NPC1 1331/4885CHRNB2 4664/4885CHRNA4 4717/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NPC1 1331/4885CHRNB2 4664/4885CHRNA4 4717/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP NPC1 1331/4885CHRNB2 4664/4885CHRNA4 4717/4885

“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.