SCHEMBL5431866

SCHEMBL5431866

O=C1c2ncc3c(c(COC4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 4/20 0.39
▸ PDE1B Q01064 4/20 0.39
▸ PDE9A O76083 4/20 0.39
▸ PDE1C Q14123 4/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CASP3 P42574 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ P2RX3 P56373 2/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL5424794 0.91 MEN1 (0.36) PDE1APDE1BPDE9APDE1CMEN1
SCHEMBL4964710 0.86 MEN1 (0.41) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL4964737 0.85 PARP1 (0.37) PDE1APDE1BPDE9APDE1CMEN1
SCHEMBL5427803 0.84 MEN1 (0.37) PDE1APDE1BPDE9APDE1CMEN1
SCHEMBL14506535 0.84 MEN1 (0.35) PDE1APDE1BPDE9APDE1CMEN1
SCHEMBL4964507 0.83 MEN1 (0.41) PDE1APDE1BPDE1CMEN1KMT2A
SCHEMBL4965523 0.83 ALDH1A1 (0.33) LMNASMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL4963876 0.83 PDE1C (0.37) PDE1APDE1BPDE9APDE1CMEN1
SCHEMBL4963385 0.83 MEN1 (0.36) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL4967431 0.82 KMT2A (0.40) MEN1KMT2AALDH1A1MAPTMAPK1

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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP PDE1A 3049/4885PDE1B 3306/4885PDE9A 2095/4885

“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.

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