SCHEMBL2012054

SCHEMBL2012054

ClC(Cl)(n1nnnc1-c1ccccc1)n1nnnc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 4/20 0.49
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
P2RX7 Q99572 2/20 0.42
DRD4 P21917 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL4405748 0.89 LMNA (0.53) LMNAHSD17B10TSHRALDH1A1KMT2A
SCHEMBL4407811 0.85 LMNA (0.50) LMNAHSD17B10TSHRALDH1A1KMT2A
SCHEMBL2005847 0.82 ALDH1A1 (0.59) LMNATSHRALDH1A1KMT2AHTT
SCHEMBL4409008 0.81 LMNA (0.49) LMNAHSD17B10TSHRALDH1A1KMT2A
SCHEMBL4408728 0.81 ALDH1A1 (0.50) LMNAHSD17B10TSHRALDH1A1KMT2A
SCHEMBL4407231 0.79 LMNA (0.47) LMNAHSD17B10TSHRALDH1A1KMT2A
SCHEMBL976147 0.79 LMNA (0.47) LMNAHSD17B10TSHRALDH1A1KMT2A
SCHEMBL2009716 0.79 CA12 (0.43) LMNAHSD17B10ALDH1A1HTTPOLB
SCHEMBL2011291 0.78 TDP1 (0.56) LMNATSHRALDH1A1KMT2AHTT
SCHEMBL8947286 0.75 PTGS2 (0.46) LMNAHSD17B10TSHRALDH1A1KMT2A

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-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
EP-1769796-A1 Novel antibiotics comprising bis(1-aryl-5-tetrazolyl)methane derivatives Nederlandse Organisatie voor toegepast-natuurwetenschappelijk Onderzoek TNO (NL) 2007-04-04 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-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives LAS1L, AAAS, RPS5 LMNA 4524/4885HSD17B10 2828/4885TSHR 2921/4885

“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.