SCHEMBL1206178

SCHEMBL1206178

COC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HTT P42858 1/20 0.55
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 2/20 0.50
CASP3 P42574 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL2110183 0.88 HDAC7 (0.56) KMT2AHDAC1HDAC7HDAC4HDAC8
SCHEMBL30434619 0.84 KMT2A (0.60) KMT2AHDAC1HDAC7HDAC4HDAC8
SCHEMBL149438 0.84 KMT2A (0.60) KMT2AHDAC1HDAC7HDAC4HDAC8
SCHEMBL9030804 0.82 SLC6A3 (0.61) KMT2AHDAC1HDAC7HDAC4HDAC8
SCHEMBL14597968 0.81 HDAC1 (0.67) KMT2AHDAC1HDAC7POLBCASP3
SCHEMBL1164954 0.81 KMT2A (0.70) KMT2APOLBMAPTTP53CA1
SCHEMBL31753576 0.81 KMT2A (0.70) KMT2APOLBMAPTTP53CA1
SCHEMBL10263526 0.76 ALDH1A1 (0.63) KMT2AHTTPOLBKDM4ETSHR
SCHEMBL6478795 0.76 MAPK1 (0.58) KMT2AHDAC1HDAC7HDAC4HDAC8
SCHEMBL17113129 0.75 ALDH1A1 (0.52) KMT2AHTTPOLBKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-02-24 US disclosed
US-7833991-B2 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists KUREHA CORPORATION (JP) 2010-11-16 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists KUREHA CORPORATION (JP) 2007-09-06 US disclosed
US-7176227-B2 For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis KUREHA CORPORATION (JP) 2007-02-13 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP disclosed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 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 (5 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 KMT2A 474/4885HDAC1 582/4885HDAC7 1573/4885
US-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 KMT2A 721/4885HDAC1 223/4885HDAC7 1398/4885
US-20110046113-A1 AMINE COMPOUND AND USE THEREOF NR0B2, NR1D2, NR0B1 KMT2A 559/4885HDAC1 269/4885HDAC7 1547/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 KMT2A 488/4885HDAC1 366/4885HDAC7 1201/4885
US-20070208033-A1 For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists CXCR4, CXCR6, CCR5 KMT2A 617/4885HDAC1 149/4885HDAC7 875/4885

“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.