SCHEMBL6032374

SCHEMBL6032374

O=C(NCCc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
OPRD1 P41143 1/20 0.53
EPHX2 P34913 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL14247589 0.91 KMT2A (0.60) KMT2AOPRD1EPHX2HDAC3HDAC4
SCHEMBL18740102 0.91 KMT2A (0.63) KMT2AOPRD1EPHX2HDAC3HDAC4
SCHEMBL30570803 0.91 KMT2A (0.63) KMT2AOPRD1EPHX2HDAC3HDAC4
SCHEMBL15548985 0.91 KMT2A (0.66) KMT2AOPRD1HDAC3HDAC4HDAC1
SCHEMBL19662823 0.87 EPHX2 (0.63) KMT2AOPRD1EPHX2FABP7FABP5
SCHEMBL3044412 0.86 KMT2A (0.59) KMT2AOPRD1EPHX2FABP7FABP5
SCHEMBL3177417 0.86 KMT2A (0.62) KMT2AOPRD1EPHX2FABP7FABP5
SCHEMBL4785263 0.85 KMT2A (0.70) KMT2AEPHX2HDAC1HDAC2
SCHEMBL23270799 0.85 KMT2A (0.62) KMT2AOPRD1EPHX2HDAC3HDAC4
SCHEMBL29397906 0.84 KMT2A (0.81) KMT2AOPRD1EPHX2FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486372-B2 Cyclic azapeptides as integrin markers and methods of using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-07-16 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-8043601-B2 Cyclic azapeptides as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-25 US disclosed
US-20110256057-A1 Cyclic Azapeptides as Integrin Markers and Methods of Using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-20 US 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-20110256057-A1 Cyclic Azapeptides as Integrin Markers and Methods of Using ITGAV, ITGB3, ITGA2B KMT2A 3642/4885OPRD1 1525/4885EPHX2 3625/4885
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A KMT2A 2444/4885OPRD1 1959/4885EPHX2 3330/4885

“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.