SCHEMBL2010056

SCHEMBL2010056

Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)c(C)c2)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 5/20 0.69
GAA P10253 3/20 0.69
MAPT P10636 1/20 0.69
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
USP2 O75604 1/20 0.65

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
SCHEMBL7765896 0.90 POLB (0.82) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL13662282 0.88 POLB (0.79) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL2639132 0.86 POLB (0.76) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL29417999 0.86 POLB (0.76) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL29688982 0.86 POLB (0.76) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL6030738 0.86 POLB (0.76) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL2639130 0.86 POLB (0.76) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL8533501 0.86 POLB (0.76) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL15642202 0.85 ALDH1A1 (0.76) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL8648212 0.83 POLB (0.71) POLBNPC1RAB9AKMT2AMEN1

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 POLB 2431/4885NPC1 2947/4885RAB9A 1928/4885

“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.