SCHEMBL1709275

SCHEMBL1709275

O=C(NCc1ccccc1)Nc1n[nH]cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.57
ROCK2 O75116 2/20 0.50
MMP3 P08254 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
HTT P42858 1/20 0.47
ROCK1 Q13464 1/20 0.46
GSK3B P49841 1/20 0.46
POLB P06746 2/20 0.45
KDM5B Q9UGL1 1/20 0.45
EPHX1 P07099 1/20 0.44
APEX1 P27695 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28426901 0.84 KDM5B (0.57) KDM4EALDH1A1GAAKMT2APOLB
SCHEMBL13973023 0.80 KDM4E (0.48) KDM4EGAAKMT2AGSK3BSMN1; SMN2
SCHEMBL20824992 0.76 KDM5B (0.43) CFDKDM4EALDH1A1KMT2APOLB
SCHEMBL7133256 0.76 MAPK1 (0.48) ROCK2MMP3KDM4EADORA3HTT
SCHEMBL4690818 0.76 ADORA3 (0.48) ROCK2MMP3KDM4EADORA3ROCK1
SCHEMBL5078942 0.74 CFD (0.56) CFDROCK2KDM4EALDH1A1GAA
SCHEMBL8226019 0.73 CFD (0.51) CFDROCK2MMP3KDM4EALDH1A1
SCHEMBL13893341 0.71 KDM4E (0.51) CFDROCK2MMP3KDM4EALDH1A1
SCHEMBL31277271 0.71 HPGD (0.55) ROCK2KDM4EALDH1A1GAAKMT2A
SCHEMBL13373356 0.71 ROCK2 (0.74) ROCK2HTTROCK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed
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-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-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-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

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 CFD 4299/4885ROCK2 966/4885MMP3 1702/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CFD 4299/4885ROCK2 966/4885MMP3 1702/4885
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CFD 4299/4885ROCK2 966/4885MMP3 1702/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO CFD 4299/4885ROCK2 966/4885MMP3 1702/4885

“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.