SCHEMBL5518697

SCHEMBL5518697

NC(=S)Nc1ccc(I)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.63
ALDH1A1 P00352 3/20 0.60
TP53 P04637 2/20 0.60
TYR P14679 1/20 0.60
TSHR P16473 1/20 0.60
TAS2R38 P59533 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
KIF11 P52732 1/20 0.50
CA12 O43570 1/20 0.44

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
SCHEMBL725810 0.87 ALDH1A1 (0.75) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL28294619 0.81 TAS2R38 (0.60) IDO1ALDH1A1TAS2R38CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL28802375 0.80 IDO1 (0.57) IDO1ALDH1A1TP53TYRTSHR
SCHEMBL12071790 0.78 ALDH1A1 (0.62) IDO1ALDH1A1TP53TYRTSHR
SCHEMBL728343 0.78 ALDH1A1 (0.62) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL23752222 0.78 IDO1 (0.59) IDO1ALDH1A1TP53TYRTSHR
SCHEMBL1822006 0.78 ALDH1A1 (0.65) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL5435931 0.77 IDO1 (1.00) IDO1ALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL1184889 0.76 SIGMAR1 (0.53) IDO1TP53CYP3A4CYP2D6CYP2C19
SCHEMBL11751583 0.76 ALDH1A1 (0.61) ALDH1A1TP53TYRTSHRTAS2R38

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113394456-A Lithium metal battery electrolyte additive and application thereof 厦门大学 2021-09-14 CN claimed
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
CN-118619952-A Aloperine derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-09-10 CN disclosed
CN-113394456-B Lithium metal battery electrolyte additive and application thereof 厦门大学 2022-11-11 CN disclosed
CN-113394456-A Lithium metal battery electrolyte additive and application thereof 厦门大学 2021-09-14 CN disclosed
EP-3150705-B1 METHOD FOR INDUCING MYOCARDIAL DIFFERENTIATION OF PLURIPOTENT STEM CELLS USING LOW-MOLECULAR COMPOUND UNIV KYOTO (JP) 2019-05-15 EP disclosed
EP-3150705-B1 METHOD FOR INDUCING MYOCARDIAL DIFFERENTIATION OF PLURIPOTENT STEM CELLS USING LOW-MOLECULAR COMPOUND UNIV KYOTO (JP) 2019-05-15 EP disclosed
EP-2966166-B1 PROMOTER OF DIFFERENTIATION OF PLURIPOTENT STEM CELL INTO MYOCARDIUM, WHICH COMPRISES EGF RECEPTOR INHIBITOR UNIV KYOTO (JP) 2019-04-03 EP disclosed
EP-2966166-B1 PROMOTER OF DIFFERENTIATION OF PLURIPOTENT STEM CELL INTO MYOCARDIUM, WHICH COMPRISES EGF RECEPTOR INHIBITOR UNIV KYOTO (JP) 2019-04-03 EP disclosed
US-10233426-B2 Method for inducing cardiac differentiation of pluripotent stem cell with low-molecular compounds KYOTO UNIVERSITY (JP) 2019-03-19 US disclosed
US-9499790-B2 Method for promoting differentiation of pluripotent stem cells into cardiac muscle cells KYOTO UNIVERSITY (JP) 2016-11-22 US disclosed
US-9499790-B2 Method for promoting differentiation of pluripotent stem cells into cardiac muscle cells KYOTO UNIVERSITY (JP) 2016-11-22 US disclosed
EP-3045451-A1 COMPOUND PROMOTING DIFFERENTIATION OF PLURIPOTENT STEM CELLS INTO CARDIOMYOCYTES Kyoto University (JP) 2016-07-20 EP disclosed
EP-3045451-A1 COMPOUND PROMOTING DIFFERENTIATION OF PLURIPOTENT STEM CELLS INTO CARDIOMYOCYTES Kyoto University (JP) 2016-07-20 EP disclosed
EP-2966166-A1 PROMOTER OF DIFFERENTIATION OF PLURIPOTENT STEM CELL INTO MYOCARDIUM, WHICH COMPRISES EGF RECEPTOR INHIBITOR Kyoto University (JP) 2016-01-13 EP disclosed
US-20160002600-A1 COMPOSITION FOR PROMOTING CARDIAC DIFFERENTIATION OF PLURIPOTENT STEM CELL COMPRISING EGFR INHIBITOR KYOTO UNIVERSITY (JP) 2016-01-07 US disclosed
US-20160002600-A1 COMPOSITION FOR PROMOTING CARDIAC DIFFERENTIATION OF PLURIPOTENT STEM CELL COMPRISING EGFR INHIBITOR KYOTO UNIVERSITY (JP) 2016-01-07 US disclosed
US-20140127807-A1 Method for Promoting Differentiation of Pluripotent Stem Cells into Cardiac Muscle Cells KYOTO UNIVERSITY (JP) 2014-05-08 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (4 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-10233426-B2 Method for inducing cardiac differentiation of pluripotent stem cell with low-molecular compounds SRC, MYLK2, YES1 IDO1 3748/4885ALDH1A1 2969/4885TP53 1153/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 IDO1 210/4885ALDH1A1 2069/4885TP53 4773/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 IDO1 289/4885ALDH1A1 2036/4885TP53 4482/4885
US-20140127807-A1 Method for Promoting Differentiation of Pluripotent Stem Cells into Cardiac Muscle Cells TNNI3, MYLK2, TNNT2 IDO1 4688/4885ALDH1A1 1072/4885TP53 3278/4885

“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.