SCHEMBL4357407

SCHEMBL4357407

Oc1ccc(NCC2=NCN=C2c2ccccc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.37
NOX4 Q9NPH5 1/20 0.35
PPARA Q07869 1/20 0.35
STING1 Q86WV6 1/20 0.35
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
ARG1 P05089 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
EGFR P00533 1/20 0.33
TNIK Q9UKE5 1/20 0.33
MAOB P27338 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
GAA P10253 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
SCHEMBL4351441 0.88 RPS6KA3 (0.36) FFAR1PPARAMAPTMEN1PABPC1
SCHEMBL4342000 0.77 GSK3B (0.38) MAPTMEN1KMT2AMAOBESR2
SCHEMBL4346821 0.75 ALOX5 (0.39) MAPTMEN1KMT2ATNIKMAOB
SCHEMBL4341651 0.64 KDM4E (0.48) NOX4INSRIGF1RMAPTMEN1
SCHEMBL4346787 0.64 NOX4 (0.45) NOX4MAPTMEN1KMT2AEGFR
SCHEMBL4347069 0.64 FFAR1 (0.60) FFAR1INSRIGF1RMAPTMEN1
SCHEMBL11532312 0.63 HSD17B14 (0.50) FFAR1NOX4PPARASTING1MAPT
SCHEMBL4351832 0.62 MEN1 (0.72) FFAR1MAPTMEN1KMT2AMAOB
SCHEMBL4348998 0.62 MAPT (0.70) MAPTMEN1KMT2AMAOBESR1
SCHEMBL4347945 0.62 RXFP1 (0.59) MAPTMEN1KMT2AGAA

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-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 FFAR1 736/4885NOX4 3332/4885PPARA 683/4885

“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.