SCHEMBL3566178

SCHEMBL3566178

CC(C)C[C@H](NC(=O)CCCc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.43
CACNA1B Q00975 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
REN P00797 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3566181 1.00 NPR3 (0.43) NPR3CACNA1BMEN1KMT2AMAPT
SCHEMBL3571082 0.83 PPID (0.44) NPR3KMT2ACASP1CASP3CASP7
SCHEMBL3576552 0.80 CAPN1 (0.52) CACNA1BMEN1KMT2AMAPTNPSR1
SCHEMBL3576555 0.80 CAPN1 (0.52) CACNA1BMEN1KMT2AMAPTNPSR1
SCHEMBL560137 0.77 CACNA1B (0.50) CACNA1BMEN1KMT2AALDH1A1LMNA
SCHEMBL8256601 0.77 CACNA1B (0.50) CACNA1BMEN1KMT2AALDH1A1LMNA
SCHEMBL560138 0.77 CACNA1B (0.50) CACNA1BMEN1KMT2AALDH1A1LMNA
SCHEMBL3571893 0.74 SMN1; SMN2 (0.41) NPR3ALDH1A1HTT
SCHEMBL3574991 0.74 SMN1; SMN2 (0.41) NPR3ALDH1A1HTT
SCHEMBL14193657 0.74 PPID (0.41) KMT2AMAPTCASP1CASP3CASP7

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-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 US disclosed
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 US disclosed
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 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 (1 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-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 NPR3 2536/4885CACNA1B 4797/4885MEN1 3696/4885

“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.