SCHEMBL509764

SCHEMBL509764

CCc1nn(CCNC(=O)O)c(CNCc2ccc(OC)cc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CNR1 P21554 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MARS1 P56192 1/20 0.35

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
SCHEMBL10285159 0.89 BRD4 (0.36) PTGDR2CNR1CARM1PRMT6
SCHEMBL509028 0.89 PTGDR2 (0.38) PTGDR2CARM1PRMT6KMT2A
SCHEMBL5228699 0.86 POLB (0.36) ALDH1A1PTGDR2CNR1HTTPOLB
SCHEMBL5230405 0.84 PTGDR2 (0.37) PTGDR2CNR1HTTCARM1PRMT6
SCHEMBL509007 0.84 MAPT (0.36) PTGDR2
SCHEMBL12133533 0.82 POLB (0.32) ALDH1A1PTGDR2CNR1HTTPOLB
SCHEMBL509867 0.82 MAPT (0.40) ALDH1A1PTGDR2CARM1PRMT6LMNA
SCHEMBL508715 0.81 MAPT (0.40) ALDH1A1PTGDR2LMNASMN1; SMN2
SCHEMBL508080 0.81 MAPT (0.40) ALDH1A1PTGDR2CARM1PRMT6LMNA
SCHEMBL509601 0.80 MAPT (0.41) ALDH1A1PTGDR2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 ALDH1A1 1080/4885PTGDR2 3222/4885CNR1 3353/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 ALDH1A1 997/4885PTGDR2 3365/4885CNR1 3349/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD ALDH1A1 886/4885PTGDR2 3632/4885CNR1 3859/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 ALDH1A1 385/4885PTGDR2 3728/4885CNR1 3071/4885

“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.