SCHEMBL469929

SCHEMBL469929

CC(=O)NCc1ccc(I)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
HDAC1 Q13547 5/20 0.59
HDAC6 Q9UBN7 2/20 0.59
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 2/20 0.58
POLB P06746 1/20 0.58
HDAC3 O15379 4/20 0.50
HDAC2 Q92769 4/20 0.50
VHL P40337 1/20 0.47
HDAC8 Q9BY41 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PTPN1 P18031 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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 0.89 KMT2A (0.76) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL17123630 0.83 KMT2A (0.63) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL8868401 0.82 KMT2A (0.67) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL5166934 0.81 CYP1A2 (0.55) KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3612554 0.81 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL885068 0.81 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL171709 0.81 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL3612557 0.81 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL1951513 0.81 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL15947376 0.81 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
CN-103483235-B The aryl pyrrolidines of desinsection BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2015-09-09 CN disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
CN-101351472-A 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC (US) 2009-01-21 CN disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
US-7285572-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285572-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285572-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20060135572-A1 CaSR antagonist JAPAN TOBACCO INC. (JP) 2006-06-22 US disclosed
EP-1630157-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-03-01 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-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 KMT2A 1815/4885HDAC1 440/4885HDAC6 498/4885
US-20060135572-A1 CaSR antagonist CASR, CALCR, CALCRL KMT2A 3258/4885HDAC1 1915/4885HDAC6 2192/4885

“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.