SCHEMBL4991609

SCHEMBL4991609

CC(=O)NCc1cc[c]nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
VHL P40337 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
BPTF Q12830 1/20 0.36
ELANE P08246 1/20 0.36
RECQL P46063 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL11550474 0.83 KDM4E (0.51) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL5530212 0.83 TSHR (0.47) KMT2AHDAC1NPSR1ALDH1A1RAB9A
SCHEMBL4930125 0.76
SCHEMBL754248 0.76 KMT2A (0.58) KMT2AHDAC1HDAC6NPSR1MAPT
SCHEMBL5520068 0.74 NPC1 (0.51) HDAC1ALDH1A1RAB9ANPC1HTT
SCHEMBL24016013 0.74 KMT2A (0.51) KMT2AHDAC1HDAC6NPSR1MAPT
SCHEMBL7367240 0.73 ALDH1A1 (0.35) NPSR1ALDH1A1POLB
SCHEMBL12133623 0.72 KMT2A (0.76) KMT2AHDAC1HDAC6NPSR1MAPT
SCHEMBL4988289 0.72 KMT2A (0.44) KMT2APOLBKDM4ERECQL
SCHEMBL5522546 0.72 NOS3 (0.50) KMT2AMAPTALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-101039934-A 1, 5-diheterocyclic-1H-triazole derivatives DAIICHI SEIYAKU CO (JP) 2007-09-19 CN disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R KMT2A 3245/4885HDAC1 769/4885HDAC6 1104/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 KMT2A 2339/4885HDAC1 453/4885HDAC6 1478/4885

“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.