SCHEMBL6319696

SCHEMBL6319696

Cc1cccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
MAPK1 P28482 3/20 0.76
LMNA P02545 3/20 0.72
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
FFAR1 O14842 1/20 0.63
ALDH1A1 P00352 2/20 0.62
PLA2G1B P04054 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ATG4B Q9Y4P1 1/20 0.62
POLB P06746 1/20 0.62
NOTUM Q6P988 1/20 0.62
TP53 P04637 1/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL17148022 0.89 HTT (0.80) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL24590721 0.86 MAPK1 (0.78) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL12338974 0.86 HTT (0.75) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL17148040 0.85 HTT (0.74) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL2957652 0.83 MEN1 (0.83) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL12224811 0.82 ALDH1A1 (0.71) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL12259156 0.82 MEN1 (0.69) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL7514631 0.82 KMT2A (0.75) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL15579508 0.81 POLB (0.77) HTTMEN1KMT2AMAPK1LMNA
SCHEMBL17148053 0.81 NPC1 (0.84) HTTMEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 US disclosed
US-20050239833-A1 Compositions and methods for modulating interaction between polypeptides MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-10-27 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 (3 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-20050239833-A1 Compositions and methods for modulating interaction between polypeptides IAPP, SERPINA6, SERPINA2 HTT 227/4885MEN1 1736/4885KMT2A 4744/4885
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 HTT 227/4885MEN1 1736/4885KMT2A 4744/4885
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 HTT 227/4885MEN1 1736/4885KMT2A 4744/4885

“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.