SCHEMBL5517093

SCHEMBL5517093

OCCn1c(/C=C/c2nc3ccccc3[nH]2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.49
▸ RAB9A P51151 10/20 0.49
▸ SMN1; SMN2 Q16637 10/20 0.49
▸ KMT2A Q03164 9/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ MEN1 O00255 8/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ HPGD P15428 7/20 0.49
▸ PKM P14618 3/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ GAA P10253 7/20 0.48
▸ TP53 P04637 5/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ GLA P06280 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPT P10636 10/20 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
SCHEMBL5517096 1.00 KDM4E (0.49) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL6748980 0.75 RAB9A (0.50) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL29539476 0.74 ALDH1A1 (0.81) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL1086983 0.74 ALDH1A1 (0.81) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL1086985 0.74 ALDH1A1 (0.81) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL5576433 0.74 KDM4E (0.50) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL20184752 0.70 ALDH1A1 (0.61) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL20184753 0.70 ALDH1A1 (0.61) KDM4ERAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL10881855 0.70 MAPK1 (0.42) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10364153 0.70 NPC1 (0.44) KDM4ERAB9ASMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945209-B1 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) 2018-05-30 — — EP disclosed
US-8691859-B2 Broad spectrum antibacterial compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2014-04-08 — — US disclosed
US-20070112048-A1 Broad Spectrum Antibacterial Compounds U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2007-05-17 — — 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-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO KDM4E 3914/4885RAB9A 725/4885SMN1; SMN2 2563/4885

“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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