SCHEMBL20006037

SCHEMBL20006037

Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
HPGD P15428 3/20 0.55
CYP2D6 P10635 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
S1PR4 O95977 1/20 0.50
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 0.86 ALDH1A1 (0.58) MAPTHPGDCYP2D6CYP1A2CYP3A4
SCHEMBL22966241 0.83 MAPT (0.57) MAPTCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL20006097 0.82 MAPT (0.56) MAPTHPGDCYP2D6CYP1A2CYP3A4
SCHEMBL5283280 0.81 KMT2A (0.57) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL3505576 0.81 MAPT (0.55) MAPTHPGDCYP2D6KDM4ECYP1A2
SCHEMBL12121522 0.77 ALDH1A1 (0.52) MAPTHPGDCYP2D6KDM4ECYP1A2
SCHEMBL1646321 0.77 MAPT (0.52) MAPTHPGDCYP2D6CYP1A2CYP3A4
SCHEMBL20005627 0.77 DRD2 (0.55) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL20258221 0.77 MAPK1 (0.55) MAPTHPGDCYP2D6ALDH1A1LMNA
SCHEMBL3506274 0.77 MAPT (0.50) MAPTHPGDCYP2D6KDM4ECYP1A2

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 3938/4885HPGD 3369/4885CYP2D6 4282/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MAPT 3938/4885HPGD 3369/4885CYP2D6 4282/4885

“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.