SCHEMBL773162

SCHEMBL773162

Cc1ccc(OCC(O)CN)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.54
KDM4E B2RXH2 4/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 9/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
S1PR4 O95977 1/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 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
SCHEMBL11665102 0.85 L3MBTL1 (0.49) KMT2AL3MBTL1KDM4EGAAALDH1A1
SCHEMBL19296839 0.81 ALDH1A1 (0.57) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL7366723 0.80 L3MBTL1 (0.71) KMT2AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL772921 0.78 ALOX15 (0.52) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL772477 0.78 TSHR (0.47) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL767590 0.78 ALOX15 (0.62) KMT2AKDM4EMAPTLMNASMN1; SMN2
SCHEMBL767591 0.78 ALOX15 (0.62) KMT2AKDM4EMAPTLMNASMN1; SMN2
SCHEMBL14301113 0.77 ALOX15 (0.53) KMT2AMAPTSMN1; SMN2
SCHEMBL22579790 0.77 ALDH1A1 (0.52) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL16367171 0.77 ALDH1A1 (0.53) KMT2AKDM4EGAAALDH1A1MAPT

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 5 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

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 KMT2A 2169/4885L3MBTL1 4527/4885KDM4E 4181/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP KMT2A 2169/4885L3MBTL1 4527/4885KDM4E 4181/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP KMT2A 2169/4885L3MBTL1 4527/4885KDM4E 4181/4885

“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.