SCHEMBL3606700

SCHEMBL3606700

COC(=O)Cn1cc(C#N)c(-c2cc(Cl)cc([N+](=O)[O-])c2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 3/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VCAM1 P19320 3/20 0.34
RECQL P46063 3/20 0.33
MAPT P10636 3/20 0.32
XDH P47989 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL3609964 0.88 KDM4E (0.42) KDM4EALDH1A1POLBGLASMN1; SMN2
SCHEMBL3604031 0.85 GAA (0.36) POLBGLARAB9ASMN1; SMN2MAPT
SCHEMBL3597635 0.83 ALDH1A1 (0.39) KDM4EALDH1A1POLBGLARECQL
SCHEMBL3911826 0.80 KDM4E (0.37) KDM4EALDH1A1POLBGLAMAPT
SCHEMBL13404301 0.74 POLB (0.52) KDM4EALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL3599843 0.73 AR (0.40) KDM4EALDH1A1POLBGLAMAPT
SCHEMBL3596100 0.70 RXRA (0.43) KDM4EPOLBGLAMAPTXDH
SCHEMBL4303748 0.70 KMT2A (0.39) KDM4EALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL3914123 0.70 VCAM1 (0.43) KDM4EALDH1A1SMN1; SMN2VCAM1MAPT
SCHEMBL3600090 0.69 AR (0.37) KDM4EALDH1A1POLBGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US disclosed
EP-2032555-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY Novartis AG (CH) 2009-03-11 EP disclosed
WO-2007144127-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY NOVARTIS AG (CH) 2007-12-21 WO disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 WO 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 (2 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 KDM4E 1399/4885ALDH1A1 439/4885POLB 441/4885
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 KDM4E 2754/4885ALDH1A1 3117/4885POLB 2905/4885

“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.