SCHEMBL7423285

SCHEMBL7423285

O=C(NCc1ccccc1)Nc1cccc(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.79
RAB9A P51151 4/20 0.77
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
NPC1 O15118 4/20 0.74
MAPT P10636 4/20 0.74
KDM4E B2RXH2 1/20 0.72
LMNA P02545 5/20 0.71
HTT P42858 4/20 0.71
ALDH1A1 P00352 2/20 0.71
TP53 P04637 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
PLA2G1B P04054 1/20 0.69
HPGD P15428 1/20 0.69
MAOB P27338 1/20 0.69
ATG4B Q9Y4P1 1/20 0.69
NAMPT P43490 1/20 0.64
KDR P35968 1/20 0.64
CASR P41180 1/20 0.63
CYP1A2 P05177 1/20 0.62

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
SCHEMBL28566662 0.91 RAB9A (0.66) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL30050253 0.91 RAB9A (0.66) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL11617698 0.87 NAMPT (0.82) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL14433810 0.86 RAB9A (0.78) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL28414184 0.85 KMT2A (1.00) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL14860031 0.84 MTOR (0.72) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL2831462 0.84 NPC1 (0.77) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL12218554 0.83 KMT2A (0.95) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL8177097 0.83 RAB9A (0.72) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL27953145 0.83 RAB9A (0.72) MTORRAB9AMEN1KMT2ANPC1

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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 WO disclosed
US-6124288-A Xanthines and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-09-26 US disclosed
US-5821366-A Xanthines and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-10-13 US disclosed
EP-0825993-A1 XANTHINES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-03-04 EP disclosed
WO-1996036638-A1 XANTHINES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO 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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 MTOR 4056/4885RAB9A 3102/4885MEN1 774/4885

“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.