SCHEMBL348755

SCHEMBL348755

Nc1ccc(C(=O)N2CCN(C(=O)O)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
HSD11B1 P28845 3/20 0.45
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL355576 0.87 HPGD (0.56) KMT2AMEN1HDAC1HDAC6SMN1; SMN2
SCHEMBL21962176 0.87 SMN1; SMN2 (0.55) KMT2AMEN1HDAC1HDAC6SMN1; SMN2
SCHEMBL16982524 0.86 KMT2A (0.75) KMT2AMEN1HDAC1HDAC6ALOX15
SCHEMBL23320281 0.84 MEN1 (0.49) KMT2AMEN1HDAC1HDAC6SMN1; SMN2
SCHEMBL1711291 0.84 TSHR (0.65) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL8280049 0.83 PKM (0.57) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL1018987 0.83 SIGMAR1 (0.53) KMT2AMEN1HDAC1HDAC6HSD11B1
SCHEMBL13451259 0.82 HSD11B1 (0.52) KMT2AMEN1HDAC1HDAC6HSD11B1
SCHEMBL1512434 0.81 LRRK2 (0.61) KMT2AMEN1SMN1; SMN2HSD11B1ALDH1A1
SCHEMBL1512564 0.81 MEN1 (0.67) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1

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-20230070613-A1 PROTEIN TYROSINE KINASE 6 (PTK6) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-03-09 US disclosed
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
EP-2318368-B1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-16 EP disclosed
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
EP-2297118-B1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-10-05 EP disclosed
EP-2297118-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. Organon (NL) 2011-03-23 EP disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 US disclosed
WO-2009138438-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. ORGANON (NL) 2009-11-19 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 (3 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-20230070613-A1 PROTEIN TYROSINE KINASE 6 (PTK6) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE PTK6, NEK6, GRK6 KMT2A 1941/4885MEN1 1801/4885HDAC1 2492/4885
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES FFAR2, FFAR3, FFAR1 KMT2A 4742/4885MEN1 2373/4885HDAC1 2227/4885
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 KMT2A 4136/4885MEN1 3167/4885HDAC1 1283/4885

“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.