SCHEMBL16373452

SCHEMBL16373452

CC(=O)NCc1ccc(C2OCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
VHL P40337 1/20 0.40
WDR91 A4D1P6 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL12133623 0.78 KMT2A (0.76) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL18259814 0.78 NR1H4 (0.57) KMT2AHDAC1HDAC6ALDH1A1HDAC3
SCHEMBL21153197 0.76 MAOA (0.63) HDAC1HDAC6ALDH1A1MAPTPOLB
SCHEMBL469040 0.75 HTR2C (0.58) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL18259873 0.75 NPC1 (0.58) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL13414995 0.75 SMN1; SMN2 (0.52) KMT2AALDH1A1MAPTPOLBRAB9A
SCHEMBL15772961 0.74 CYP4F2 (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL10188221 0.72 HTR2C (0.51) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL1429353 0.72 SMN1; SMN2 (0.56) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL21153196 0.71 MEN1 (0.45) KMT2AHDAC6HTR2CHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
EP-2821389-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP Kyushu University, National University Corporation (JP) 2015-01-07 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-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 KMT2A 837/4885HDAC1 638/4885HDAC6 1322/4885

“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.