SCHEMBL4182153

SCHEMBL4182153

O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Br)o1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
GAA P10253 10/20 0.56
ALDH1A1 P00352 3/20 0.56
GRM4 Q14833 1/20 0.53
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 3/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.48
MAPK10 P53779 1/20 0.48
GFER P55789 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL20984437 0.73 GAA (0.58) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL15135520 0.72 GAA (0.57) GAAALDH1A1MAPTTDP1MEN1
SCHEMBL4184540 0.71 GAA (0.47) NPC1RAB9AGAAALDH1A1HPGD
SCHEMBL18150249 0.70 GAA (0.53) RAB9AGAAALDH1A1MAPTTDP1
SCHEMBL20011707 0.70 GAA (0.54) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL4020988 0.70 RAB9A (0.70) NPC1RAB9AALDH1A1GRM4MAPT
SCHEMBL4174561 0.69 JAK2 (0.55) GAAALDH1A1MAPTKMT2A
SCHEMBL7159563 0.69 ALDH1A1 (1.00) RAB9AGAAALDH1A1MAPTTHRB
SCHEMBL31337431 0.69 MAPT (0.70) NPC1RAB9AGAAALDH1A1GRM4
SCHEMBL28844978 0.68 GAA (0.60) NPC1RAB9AGAAALDH1A1GRM4

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-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036508-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
WO-2007090494-A1 AMINO INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-08-16 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-20090036508-A1 AMINO INDAZOLE DERIVATIVES CHEK1, CHEK2, SGK3 NPC1 3540/4885RAB9A 3269/4885GAA 3878/4885

“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.