SCHEMBL2004338

SCHEMBL2004338

Cc1cccc(-c2nnnn2C(Cl)(Cl)n2nnnc2-c2cccc(C)c2C)c1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.51
ALDH1A1 P00352 6/20 0.38
KCNN4 O15554 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 4/20 0.34
CNR2 P34972 1/20 0.34
PKM P14618 1/20 0.33
NUDT1 P36639 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2007525 0.75 P2RX7 (0.49) P2RX7ALDH1A1KCNN4SMN1; SMN2PKM
SCHEMBL2005847 0.72 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2TSHRNPSR1
SCHEMBL5815057 0.71 P2RX7 (0.74) P2RX7ALDH1A1TRPA1
SCHEMBL2012054 0.70 LMNA (0.53) P2RX7ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL5813093 0.68 P2RX7 (1.00) P2RX7ALDH1A1HTTTRPA1NPSR1
SCHEMBL3838617 0.68 AGTR1 (0.41) P2RX7ALDH1A1KCNN4HTTSMN1; SMN2
SCHEMBL9272605 0.66 KCNN4 (0.49) P2RX7ALDH1A1KCNN4SMN1; SMN2TSHR
SCHEMBL218508 0.65 TRPA1 (0.52) P2RX7ALDH1A1SMN1; SMN2TSHRCNR2
SCHEMBL30834716 0.65 TRPA1 (0.52) P2RX7ALDH1A1SMN1; SMN2TSHRCNR2
SCHEMBL2011291 0.65 TDP1 (0.56) ALDH1A1HTTSMN1; SMN2TSHRNPSR1

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 P2RX7 3227/4885ALDH1A1 3743/4885KCNN4 2126/4885

“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.