SCHEMBL20657015

SCHEMBL20657015

CC(C)(C)N(C(=O)O)c1ccccc1NC(=O)c1ccc(CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
NCOR2 Q9Y618 2/20 0.46
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLK1 P53350 3/20 0.40
PLK3 Q9H4B4 3/20 0.40
POLB P06746 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
SCHEMBL2209584 0.87 HDAC1 (0.53) HDAC1HDAC3HDAC2
SCHEMBL2107673 0.81 NPC1 (0.42) HDAC1HDAC3HDAC2NCOR2NR1H4
SCHEMBL247987 0.81 CACNA1B (0.57) HDAC1HDAC3HDAC2NCOR2MAPT
SCHEMBL1931687 0.80 HDAC1 (0.53) HDAC1HDAC3HDAC2
SCHEMBL4897318 0.79 PTPN2 (0.43) HDAC1HDAC3HDAC2NCOR2NPC1
SCHEMBL2107514 0.79 HDAC1 (0.65) HDAC1HDAC3HDAC2NCOR2NR1H4
SCHEMBL2107774 0.77 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2108610 0.77 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2NR1H4
Bicarbonate SCHEMBL2109328 0.76 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2
SCHEMBL3657983 0.76 CES2 (0.54) HDAC1HDAC3HDAC2NCOR2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-17 US disclosed
US-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-04 US disclosed
EP-3431471-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USERS THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-01-23 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 (2 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-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SETDB1, KDM1B, SETD7 HDAC1 107/4885HDAC3 613/4885HDAC2 281/4885
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SETDB1, KDM1B, SETD7 HDAC1 107/4885HDAC3 613/4885HDAC2 281/4885

“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.