SCHEMBL14506537

SCHEMBL14506537

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NFATC1 O95644 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL5427942 0.94 CYP11B1 (0.40) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4963385 0.92 MEN1 (0.36) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4964888 0.89 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4965046 0.89 HTR6 (0.37) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4964658 0.88 CACNA1B (0.44) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4964507 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL5427742 0.87 PKM (0.34) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL1198652 0.87 CACNA1B (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4964779 0.87 CACNA1B (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4964833 0.87 HDAC1 (0.35) MEN1KMT2AALDH1A1CYP3A4CYP2D6

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 1367/4885ALDH1A1 437/4885

“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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