SCHEMBL2008072

SCHEMBL2008072

O=C(CC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 1.00
▸ KMT2A Q03164 10/20 1.00
▸ MAPT P10636 6/20 0.59
▸ LMNA P02545 5/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ SFN P31947 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ RECQL P46063 1/20 0.53

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
SCHEMBL9621530 0.91 MEN1 (0.83) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL12720508 0.89 MEN1 (0.80) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4002979 0.89 MEN1 (0.79) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28833417 0.87 MEN1 (0.77) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4010958 0.87 MEN1 (0.77) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6355103 0.85 MEN1 (0.74) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7824542 0.84 MEN1 (0.72) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9311985 0.83 KMT2A (0.75) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL10710090 0.83 MEN1 (0.79) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11141100 0.83 MEN1 (0.70) MEN1KMT2AMAPTLMNAALDH1A1

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
US-7964625-B2 Antibiotics comprising bis(1-aryl-5-tetrazoly1)methane derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2011-06-21 — — US disclosed
EP-1937257-B1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES TNO (NL) 2010-12-08 — — EP disclosed
US-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2008-11-13 — — 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-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives LAS1L, AAAS, RPS5 MEN1 1009/4885KMT2A 2575/4885MAPT 1629/4885

“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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