SCHEMBL13603748

SCHEMBL13603748

O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.76
NAMPT P43490 11/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
ROCK2 O75116 1/20 0.65
ROCK1 Q13464 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
MMP13 P45452 1/20 0.60
MAPK14 Q16539 1/20 0.60
POLB P06746 1/20 0.59
MAOB P27338 1/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
IMPDH2 P12268 1/20 0.55

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
SCHEMBL16990619 0.93 HTT (0.64) HTTNAMPTNPC1RAB9AROCK2
SCHEMBL11615046 0.92 HTT (0.76) HTTNAMPTROCK2ROCK1SMN1; SMN2
SCHEMBL16990635 0.88 NAMPT (0.67) HTTNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL13603751 0.87 NAMPT (0.65) HTTNAMPTROCK2ROCK1SMN1; SMN2
SCHEMBL13603754 0.87 NAMPT (0.80) HTTNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL11616834 0.87 HTT (1.00) HTTNAMPTNPC1RAB9AROCK2
SCHEMBL15573354 0.87 SMN1; SMN2 (0.70) HTTNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL15573250 0.87 NAMPT (0.67) HTTNAMPTNPC1RAB9ACYP3A4
SCHEMBL15574780 0.87 KMT2A (0.60) HTTNAMPTROCK2ROCK1MEN1
SCHEMBL15574772 0.87 NAMPT (0.78) HTTNAMPTNPC1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US claimed
EP-2890380-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-07-08 EP claimed
WO-2014032755-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-03-06 WO claimed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 HTT 3842/4885NAMPT 1163/4885NPC1 3179/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 HTT 3579/4885NAMPT 2021/4885NPC1 4492/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 HTT 3842/4885NAMPT 1163/4885NPC1 3179/4885

“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.