SCHEMBL9770548

SCHEMBL9770548

CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RAB9A P51151 3/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47
AGTR1 P30556 1/20 0.47
OPRK1 P41145 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
CES1 P23141 2/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL9362707 0.95 MEN1 (0.54) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL829966 0.85 LMNA (0.59) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL28577071 0.85 LMNA (0.59) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL12483563 0.85 LMNA (0.59) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL10856195 0.83 HSPB1 (0.59) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL10856843 0.83 MEN1 (0.62) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL829972 0.82 KMT2A (0.64) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL16261887 0.82 HTR2A (0.59) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL9722713 0.81 ALDH1A1 (0.50) LMNAMEN1KMT2ARAB9AHTT
SCHEMBL830301 0.81 LMNA (0.56) LMNAMEN1KMT2ARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 US disclosed
US-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0046184-B1 ARYLOXYALKYL ISOCYANATES AND METHODS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1983-11-23 EP disclosed
EP-0046184-A1 Aryloxyalkyl isocyanates and methods for their preparation BASF Aktiengesellschaft (DE) 1982-02-24 EP 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-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM LMNA 2228/4885MEN1 941/4885KMT2A 4067/4885
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM LMNA 2228/4885MEN1 941/4885KMT2A 4067/4885

“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.