SCHEMBL16248141

SCHEMBL16248141

O=C(O)c1cc([N+](=O)[O-])ccc1NNCl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
CTSV O60911 2/20 0.62
CTSL P07711 2/20 0.62
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.58
GAA P10253 1/20 0.58
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C1 Q04828 1/20 0.54
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 1/20 0.53
TRPA1 O75762 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL6625749 0.82 MAPT (0.73) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL1531297 0.81 MAPT (1.00) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL11870435 0.81 MAPT (0.71) MAPTCTSVCTSLKMT2AMEN1
Hydrochloric Acid SCHEMBL15054415 0.81 MAPT (0.71) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL7846339 0.78 MAPT (0.68) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL4249101 0.78 CTSV (0.86) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL3279807 0.78 MAPT (0.72) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL17434401 0.77 MAPT (0.70) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL22720195 0.77 CTSV (0.78) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL354532 0.77 CTSV (1.00) MAPTCTSVCTSLKMT2AMEN1

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-9126979-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US disclosed
US-9126980-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US disclosed
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2015-03-19 US disclosed
US-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2014-12-04 US disclosed
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2014-12-04 US disclosed
US-20140350014-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140343093-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS UCB PHARMA S.A. (BE) 2014-11-20 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 (5 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-20140343093-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAPT 4414/4885CTSV 2205/4885CTSL 3011/4885
US-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAPT 4414/4885CTSV 2205/4885CTSL 3011/4885
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAPT 4414/4885CTSV 2205/4885CTSL 3011/4885
US-20140350014-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAPT 4414/4885CTSV 2205/4885CTSL 3011/4885
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAPT 4391/4885CTSV 2265/4885CTSL 2964/4885

“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.