SCHEMBL14506535

SCHEMBL14506535

O=C1c2ncc3c(c(CCCOCC4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE1B Q01064 4/20 0.35
▸ PDE1A P54750 3/20 0.35
▸ PDE1C Q14123 3/20 0.35
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PDE9A O76083 2/20 0.32
▸ GRM4 Q14833 2/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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 0.90 MEN1 (0.36) MEN1KMT2APDE1BPDE1APDE1C
SCHEMBL5438108 0.89 KMT2A (0.37) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL5430713 0.86 PDE1C (0.37) MEN1KMT2APDE1BPDE1APDE1C
SCHEMBL5434685 0.85 PPARD (0.34) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5421018 0.85 PKM (0.33) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4967431 0.85 KMT2A (0.40) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL5427742 0.85 PKM (0.34) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4965523 0.84 ALDH1A1 (0.33) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL5427803 0.84 MEN1 (0.37) MEN1KMT2APDE1BPDE1APDE1C
SCHEMBL5431866 0.84 PDE1A (0.39) MEN1KMT2APDE1BPDE1APDE1C

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-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 MEN1 4787/4885KMT2A 1367/4885PDE1B 3306/4885

“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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