SCHEMBL5527072

SCHEMBL5527072

Cc1cccc(CNC(N)=S)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP1A2 P05177 1/20 0.51
MMP13 P45452 1/20 0.51
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 1/20 0.49
ALOX12 P18054 1/20 0.49
TAAR1 Q96RJ0 2/20 0.47
IDO1 P14902 2/20 0.46
FBP1 P09467 1/20 0.46
ASAH1 Q13510 1/20 0.45
TP53 P04637 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
SCHEMBL5527522 0.82 KDM4E (0.61) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL19154600 0.82 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10MMP13
SCHEMBL10648740 0.82 TAAR1 (0.56) ALDH1A1HPGDKDM4EHSD17B10MMP13
SCHEMBL20496880 0.81 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10MMP13
SCHEMBL31362037 0.80 PKM (0.61) ALDH1A1HPGDKDM4ECYP1A2LMNA
SCHEMBL22365680 0.79 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10MMP13
SCHEMBL5528698 0.79 PTPN7 (0.50) ALDH1A1LMNAGAAKMT2AMAPT
SCHEMBL16108166 0.79 MAPT (0.55) ALDH1A1HPGDLMNAGAAMAPT
SCHEMBL3817647 0.78 SMN1; SMN2 (0.60) ALDH1A1HPGDKDM4EMMP13LMNA
SCHEMBL20027248 0.78 ALDH1A1 (0.49) ALDH1A1HPGDLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 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

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885HPGD 3176/4885KDM4E 1012/4885
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE ALDH1A1 1822/4885HPGD 1696/4885KDM4E 762/4885

“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.