SCHEMBL3597635

SCHEMBL3597635

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KAT2B Q92831 1/20 0.32
EGFR P00533 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
XDH P47989 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 0.92 KDM4E (0.42) ALDH1A1KDM4EPOLBHPGDGAA
SCHEMBL3911826 0.84 KDM4E (0.37) ALDH1A1KDM4EPOLBHPGDGAA
SCHEMBL13404301 0.77 POLB (0.52) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL3599843 0.77 AR (0.40) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL3596100 0.73 RXRA (0.43) KDM4EPOLBGAAMAPTCYP1A2
SCHEMBL4303748 0.73 KMT2A (0.39) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL3600090 0.73 AR (0.37) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL3593248 0.72 ADRA1D (0.37) HPGD
SCHEMBL3601964 0.71 HSP90AA1 (0.45) POLB
SCHEMBL3604031 0.70 GAA (0.36) POLBGAAMAPTGLA

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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US 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

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 ALDH1A1 439/4885KDM4E 1399/4885POLB 441/4885
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 ALDH1A1 3117/4885KDM4E 2754/4885POLB 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.