SCHEMBL773167

SCHEMBL773167

NCC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
GAA P10253 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.52
MAOB P27338 1/20 0.51
AOC3 Q16853 1/20 0.51
POLB P06746 1/20 0.51
DRD4 P21917 1/20 0.49

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
SCHEMBL19683313 1.00 ALDH1A1 (0.62) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL19683418 1.00 ALDH1A1 (0.62) ALDH1A1GAASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11663123 0.98 GAA (0.63) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL7270186 0.90 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL11569325 0.85 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1496537 0.85 GAA (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL11664062 0.84 MAPT (0.51) ALDH1A1GAAMAPTMAOBAOC3
SCHEMBL15060886 0.84 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1496611 0.84 ALDH1A1 (0.66) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1496497 0.84 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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 6 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-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
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 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 ALDH1A1 1899/4885GAA 1031/4885SMN1; SMN2 2866/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALDH1A1 1899/4885GAA 1031/4885SMN1; SMN2 2866/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP ALDH1A1 1899/4885GAA 1031/4885SMN1; SMN2 2866/4885

“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.