SCHEMBL12856431

SCHEMBL12856431

Nc1cc(N)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
KMT2A Q03164 3/20 0.68
SLC6A2 P23975 1/20 0.68
SLC6A3 Q01959 1/20 0.68
LMNA P02545 3/20 0.62
ALDH1A1 P00352 6/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.49
GAA P10253 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
SCHEMBL4993714 0.97 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6160608 0.89 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL417403 0.88 KMT2A (0.59) TDP1KMT2ASLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL2002861 0.88 KMT2A (0.57) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6282770 0.87 KMT2A (0.81) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL913728 0.87 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6652699 0.87 TDP1 (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL10137662 0.87 KMT2A (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL12642454 0.86 KMT2A (0.68) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL5110705 0.85 PRKCA (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828548-B2 Liquid-crystal composition DIC CORPORATION (JP) 2017-11-28 US disclosed
CN-102754020-B Liquid crystal aligning agent and liquid crystal display element using the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-02 CN disclosed
CN-104812805-A Siloxane compound, modified imide resin, thermosetting resin composition, prepreg, film with resin, laminate, multilayer printed wiring board, and semiconductor package HITACHI CHEMICAL CO LTD 2015-07-29 CN disclosed
CN-102754020-A Liquid crystal aligning agent and liquid crystal display element using the same NISSAN CHEMICAL IND LTD 2012-10-24 CN disclosed
US-20110038805-A1 COMPOUNDS COMPRISING PARAMAGNETIC CHELATES ARRANGED AROUND A CENTRAL CORE AND THEIR USE IN MAGNETO RESONANCE IMAGING AND SPECTROSCOPY GE HEALTHCARE AS (NO) 2011-02-17 US disclosed
US-20110038805-A1 COMPOUNDS COMPRISING PARAMAGNETIC CHELATES ARRANGED AROUND A CENTRAL CORE AND THEIR USE IN MAGNETO RESONANCE IMAGING AND SPECTROSCOPY GE HEALTHCARE AS (NO) 2011-02-17 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 (1 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-20110038805-A1 COMPOUNDS COMPRISING PARAMAGNETIC CHELATES ARRANGED AROUND A CENTRAL CORE AND THEIR USE IN MAGNETO RESONANCE IMAGING AND SPECTROSCOPY ABCB7, TSPO, MAG TDP1 3840/4885KMT2A 2800/4885SLC6A2 1239/4885

“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.