SCHEMBL2158122

SCHEMBL2158122

NC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.43
KCNH2 Q12809 2/20 0.39
MKNK1 Q9BUB5 5/20 0.39
MKNK2 Q9HBH9 5/20 0.39
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT4 Q9Y6E7 1/20 0.36
ATM Q13315 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
OPRK1 P41145 4/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
FPR1 P21462 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
SCHEMBL7964582 1.00 CYP11B2 (0.43) CYP11B2KCNH2MKNK1MKNK2F7
SCHEMBL7964580 1.00 CYP11B2 (0.43) CYP11B2KCNH2MKNK1MKNK2F7
SCHEMBL8325325 0.90 CYP11B2 (0.39) CYP11B2KCNH2MKNK1MKNK2FPR1
SCHEMBL7967732 0.89 CYP11B2 (0.39) CYP11B2KCNH2FPR1FPR2ALDH1A1
SCHEMBL7964715 0.87 CYP11B2 (0.43) CYP11B2KCNH2MKNK1MKNK2F7
SCHEMBL7962101 0.86 NR4A2 (0.40) CYP11B2FPR1FPR2ALDH1A1
SCHEMBL2157354 0.85 MKNK1 (0.39) CYP11B2KCNH2MKNK1MKNK2ATM
SCHEMBL7952126 0.85 CYP11B2 (0.41) CYP11B2MKNK1MKNK2ALDH1A1
SCHEMBL7963297 0.84 MKNK1 (0.42) CYP11B2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7962238 0.84 CYP11B2 (0.41) CYP11B2KCNH2MKNK1MKNK2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO disclosed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 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 (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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 CYP11B2 164/4885KCNH2 3656/4885MKNK1 3856/4885

“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.