SCHEMBL1285339

SCHEMBL1285339

NC(=O)CCCc1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
HDAC6 Q9UBN7 3/20 0.52
MTNR1A P48039 1/20 0.47
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HPGD P15428 2/20 0.43
MMP2 P08253 1/20 0.43
CHRM1 P11229 1/20 0.43
COMT P21964 1/20 0.43
ADRA1A P35348 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TLR8 Q9NR97 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL9181528 0.82 PARP1 (0.57) PARP1HDAC6HTTTSHRMAPT
SCHEMBL19957706 0.81 HTT (0.56) PARP1HDAC6HTTTSHRMAPT
SCHEMBL4790917 0.79 MEN1 (0.54) PARP1HDAC6MTNR1AHTTTSHR
SCHEMBL11497743 0.79 NPC1 (0.47) PARP1HDAC6HTTTSHRMAPT
SCHEMBL31329316 0.79 TLR8 (0.46) MTNR1AMAPTALDH1A1CHRM1KDM4E
SCHEMBL5539543 0.77 KDM4E (0.47) HDAC6HTTTSHRMAPTALDH1A1
SCHEMBL4711750 0.77 KDM4E (0.47) HDAC6HTTTSHRMAPTHDAC8
SCHEMBL6222571 0.76 LMNA (0.50) PARP1HDAC6HTTTSHRMAPT
SCHEMBL30203803 0.76 HDAC6 (0.52) PARP1HDAC6HTTTSHRMAPT
SCHEMBL11497495 0.76 HDAC6 (0.52) PARP1HDAC6HTTTSHRMAPT

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-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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 (3 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO PARP1 4092/4885HDAC6 1696/4885MTNR1A 779/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO PARP1 4092/4885HDAC6 1696/4885MTNR1A 779/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO PARP1 4092/4885HDAC6 1696/4885MTNR1A 779/4885

“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.