SCHEMBL6313787

SCHEMBL6313787

CCCCN1c2ccccc2SC1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PDF Q9HBH1 1/20 0.37
GSK3B P49841 2/20 0.37
BCHE P06276 2/20 0.36
MAOA P21397 1/20 0.36
PPARG P37231 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC22A1 O15245 1/20 0.34
PRNP P04156 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL21803246 0.95 KDM1A (0.39) KDM1AALDH1A1PDFGSK3BBCHE
SCHEMBL10602240 0.94 GSK3B (0.41) KDM1AALDH1A1PDFGSK3BCYP1A2
SCHEMBL6233173 0.94 GSK3B (0.41) KDM1AALDH1A1PDFGSK3BCYP1A2
Iodide SCHEMBL28413314 0.92 GSK3B (0.40) KDM1AALDH1A1PDFGSK3BCYP1A2
Iodide SCHEMBL7749127 0.92 GSK3B (0.40) KDM1AALDH1A1PDFGSK3BCYP1A2
SCHEMBL1049071 0.90 POLB (0.40) KDM1AALDH1A1TSHRPOLBPKM
SCHEMBL16709179 0.88 MAOA (0.42) KDM1AALDH1A1TSHRPOLBGSK3B
SCHEMBL28399716 0.85 PIM1 (0.45) KDM1AALDH1A1TSHRPOLBMAOA
SCHEMBL29603098 0.85 ALDH1A1 (0.38) KDM1AALDH1A1TSHRPOLBGSK3B
SCHEMBL2906839 0.85 ALDH1A1 (0.38) KDM1AALDH1A1TSHRPOLBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024939-B Photosensitive resin composition for colored filter and use its colored filter 第毛织株式会社 2017-07-07 CN disclosed
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-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-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
EP-1902849-B1 Ink jet recording method and ink jet recording device FUJIFILM CORP (JP) 2012-08-15 EP disclosed
EP-2236569-A2 Nonaqueous ink, ink set, image-forming method, image-forming apparatus and recorded article Fujifilm Corporation (JP) 2010-10-06 EP disclosed
EP-1903080-A1 Ink composition, inkjet recording method, and printed material FUJIFILM Corporation (JP) 2008-03-26 EP 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 KDM1A 4857/4885ALDH1A1 4852/4885TSHR 2548/4885
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 KDM1A 4857/4885ALDH1A1 4852/4885TSHR 2548/4885
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 KDM1A 4857/4885ALDH1A1 4852/4885TSHR 2548/4885

“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.