SCHEMBL1285337

SCHEMBL1285337

CCC(=O)NCc1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
ADORA2A P29274 12/20 0.52
ADORA1 P30542 12/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2B P29275 1/20 0.52
HTR5A P47898 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TERT O14746 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
SCHEMBL19323877 0.80 POLB (0.45) ALDH1A1LMNA
SCHEMBL19151081 0.80 CYP2C9 (0.52) LMNA
SCHEMBL19323874 0.79 LMNA (0.46) ALDH1A1LMNA
SCHEMBL5263496 0.78 ADORA2A (0.54) HDAC6ADORA2AADORA1ADORA3ADORA2B
SCHEMBL28431375 0.78 ALDH1A1 (0.48) HDAC6ADORA2AADORA1ADORA3ADORA2B
SCHEMBL643810 0.77 KDM4E (0.54) HDAC6HTR5AALDH1A1LMNA
SCHEMBL19151066 0.77 CARM1 (0.49) LMNA
SCHEMBL31036966 0.77 LMNA (0.56) LMNA
SCHEMBL19631316 0.76 HDAC6 (0.77) HDAC6ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29647751 0.76 HDAC6 (0.77) HDAC6ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2018-10-25 US disclosed
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-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
CN-102046628-A Alpha helix mimetics and methods relating thereto PRISM BIOLAB CORP 2011-05-04 CN 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 (4 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 HDAC6 1696/4885ADORA2A 3937/4885ADORA1 2545/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO HDAC6 1696/4885ADORA2A 3937/4885ADORA1 2545/4885
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO HDAC6 1696/4885ADORA2A 3937/4885ADORA1 2545/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO HDAC6 1696/4885ADORA2A 3937/4885ADORA1 2545/4885

“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.