SCHEMBL16109151

SCHEMBL16109151

COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(Cc3ccccc3C(F)(F)F)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7569108 0.88 TDP1 (0.41) KMT2APOLBALDH1A1
SCHEMBL16108220 0.86 TDP1 (0.52) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL16108819 0.84 KMT2A (0.47) NPBWR1KMT2AMEN1POLBNPC1
SCHEMBL16108174 0.84 KMT2A (0.47) NPBWR1KMT2AMEN1POLBNPC1
SCHEMBL16108281 0.84 KMT2A (0.47) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL16108208 0.84 SMN1; SMN2 (0.47) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL16108415 0.82 ALDH1A1 (0.47) NPBWR1KMT2AMEN1POLBNPC1
SCHEMBL16108265 0.81 BACE1 (0.59) NPBWR1KMT2AMEN1POLBNPC1
SCHEMBL16108933 0.81 CNR1 (0.54) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL16108168 0.81 KMT2A (0.45) KMT2AMEN1POLBNPC1RAB9A

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
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO claimed
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 claimed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US 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-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-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

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-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE NPBWR1 3333/4885KMT2A 960/4885MEN1 2432/4885

“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.