SCHEMBL20006097

SCHEMBL20006097

Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
ALDH1A1 P00352 10/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP3A4 P08684 4/20 0.54
LMNA P02545 4/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 2/20 0.52
GLA P06280 1/20 0.52
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL22381241 0.92 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL13788938 0.91 MAPT (0.56) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL22966296 0.86 TBXA2R (0.56) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL15869609 0.85 MAPT (0.68) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL1646321 0.83 MAPT (0.52) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL12121522 0.83 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL16167962 0.82 MAPT (0.56) MAPTALDH1A1HTTCYP3A4LMNA
SCHEMBL20006037 0.82 MAPT (0.56) MAPTALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL13478851 0.82 CYP19A1 (0.57) MAPTALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL8946550 0.81 ALDH1A1 (0.56) MAPTALDH1A1HTTCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 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 (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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 MAPT 3938/4885ALDH1A1 2177/4885SMN1; SMN2 4111/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MAPT 3938/4885ALDH1A1 2177/4885SMN1; SMN2 4111/4885

“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.