SCHEMBL10905154

SCHEMBL10905154

N=NC(=NNc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ GAA P10253 12/20 0.46
▸ MAPT P10636 10/20 0.46
▸ TDP1 Q9NUW8 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ HTT P42858 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ KMT2A Q03164 9/20 0.44
▸ MEN1 O00255 8/20 0.44
▸ ALDH1A1 P00352 8/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HPGD P15428 5/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL10905152 1.00 RAB9A (0.47) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL19425803 0.88 RAB9A (0.60) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL19018524 0.78 GAA (0.38) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL322062 0.76 RAB9A (0.73) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL491429 0.76 RAB9A (0.73) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL934433 0.74 GAA (0.61) RAB9ANPC1L3MBTL1GAAMAPT
Hydrochloric Acid SCHEMBL31578753 0.73 GAA (0.50) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL8138377 0.72 GAA (0.47) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL8138375 0.72 GAA (0.47) RAB9ANPC1L3MBTL1GAAMAPT
SCHEMBL29812424 0.72 RAB9A (0.71) RAB9ANPC1L3MBTL1GAAMAPT

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-10786530-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-09-29 — — US disclosed
US-4605706-A REACTING NITRILE-FUNCTIONAL POLYMER WITH A HYDROXYLAMINE AND AN AMINO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-08-12 — — US disclosed
US-4564659-A NITRILE POLYMER, HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-14 — — US disclosed
EP-0105201-A2 Chelate resins, process for their production and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-11 — — EP 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-10786530-B2 Antimicrobial cationic polycarbonates VDR, GC, CYP24A1 RAB9A 3561/4885NPC1 102/4885L3MBTL1 1684/4885

“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.

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