SCHEMBL20360605

SCHEMBL20360605

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@H](OC(CO)CO)n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.40
▸ CDK5R1 Q15078 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ PDE9A O76083 6/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ PDE5A O76074 2/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL18065046 0.88 CDK5 (0.39) CDK5CDK5R1KDM4EPDE9ASMN1; SMN2
SCHEMBL23069401 0.77 TYMP (0.36) CDK5CDK5R1KDM4EPDE9ASMN1; SMN2
SCHEMBL23069400 0.77 TYMP (0.36) CDK5CDK5R1KDM4EPDE9ASMN1; SMN2
SCHEMBL31273672 0.76 KDM4E (0.39) KDM4EPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL27041175 0.75 HPRT1 (0.40) KDM4EPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL27041198 0.75 HPRT1 (0.40) KDM4EPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL27041171 0.75 HPRT1 (0.40) KDM4EPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL19493360 0.75 TYMP (0.34) CDK5CDK5R1KDM4EPDE9A
SCHEMBL441421 0.74 TYMP (0.48) KDM4E
SCHEMBL16360371 0.73 TYMP (0.39) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450565-B2 Alpha-1 antitrypsin (AAT) RNAi agents, compositions including AAT RNAi agents, and methods of use Arrowhead Pharmaceuticals, Inc. (US) 2019-10-22 — — US disclosed
US-20180195069-A1 Alpha-1 AntiTrypsin (AAT) RNAi Agents, Compositions Including AAT RNAi Agents, And Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2018-07-12 — — 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 (2 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-10450565-B2 Alpha-1 antitrypsin (AAT) RNAi agents, compositions including AAT RNAi agents, and methods of use SERPINA2, SERPINC1, SERPINA3 CDK5 4398/4885CDK5R1 3567/4885KDM4E 4800/4885
US-20180195069-A1 Alpha-1 AntiTrypsin (AAT) RNAi Agents, Compositions Including AAT RNAi Agents, And Methods of Use SERPINA2, SERPINC1, SERPINA3 CDK5 4398/4885CDK5R1 3567/4885KDM4E 4800/4885

“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.

Send feedback