SCHEMBL5438108

SCHEMBL5438108

O=C1c2ncc3c(c(CCCOCCN4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ EPHX2 P34913 3/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ MET P08581 1/20 0.34
▸ GNRHR P30968 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4967431 0.94 KMT2A (0.40) KMT2AMEN1EPHX2MAPK14MAPK13
SCHEMBL4964507 0.91 MEN1 (0.41) KMT2AMEN1MAPK14MAPK13MAPK12
SCHEMBL14506535 0.89 MEN1 (0.35) KMT2AMEN1TDP1MAPTMAPK1
SCHEMBL5424794 0.88 MEN1 (0.36) KMT2AMEN1TDP1MAPTMAPK1
SCHEMBL5421018 0.88 PKM (0.33) KMT2AMEN1TDP1ALDH1A1CYP3A4
SCHEMBL4964710 0.86 MEN1 (0.41) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL5434685 0.86 PPARD (0.34) KMT2AMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL4964888 0.84 ALDH1A1 (0.42) KMT2AMEN1MAPTHTR2AALDH1A1
SCHEMBL5427942 0.84 CYP11B1 (0.40) KMT2AMEN1MAPTALDH1A1CYP3A4
SCHEMBL4962838 0.82 CACNB4 (0.35) KMT2AALDH1A1CYP3A4CYP2D6CYP2C19

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 4 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
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO 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 KMT2A 1367/4885MEN1 4787/4885EPHX2 3011/4885

“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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