SCHEMBL2011291

SCHEMBL2011291

COc1ccc(-c2nnnn2C(Cl)(Cl)n2nnnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.50
PTGS2 P35354 3/20 0.50
RAB9A P51151 4/20 0.48
TSHR P16473 3/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GLA P06280 1/20 0.44
HSD11B1 P28845 1/20 0.43
OXTR P30559 1/20 0.42
PTGS1 P23219 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2005966 0.78 ALDH1A1 (0.50) ALDH1A1PTGS2RAB9ATSHRNPC1
SCHEMBL2012054 0.78 LMNA (0.53) ALDH1A1PTGS2TSHRLMNAMAPT
SCHEMBL5193554 0.78 TDP1 (0.65) TDP1ALDH1A1PTGS2RAB9ATSHR
SCHEMBL2009716 0.75 CA12 (0.43) ALDH1A1PTGS2LMNAHSD11B1CA12
SCHEMBL5966946 0.75 TDP1 (0.61) TDP1ALDH1A1PTGS2RAB9ATSHR
SCHEMBL28107112 0.73 ALDH1A1 (0.68) TDP1ALDH1A1PTGS2RAB9ATSHR
SCHEMBL2005847 0.72 ALDH1A1 (0.59) TDP1ALDH1A1RAB9ATSHRNPC1
SCHEMBL28107171 0.70 LMNA (0.76) ALDH1A1PTGS2RAB9ATSHRNPC1
SCHEMBL5966725 0.70 ALDH1A1 (0.68) TDP1ALDH1A1PTGS2RAB9ATSHR
SCHEMBL6361740 0.70 P2RX7 (0.65) TDP1ALDH1A1RAB9ATSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937257-B1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES TNO (NL) 2010-12-08 EP claimed
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 claimed
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 TDP1 4449/4885ALDH1A1 3743/4885PTGS2 3818/4885

“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.