SCHEMBL5773400

SCHEMBL5773400

O=C(O)[C@H](O)[C@H](O)c1ccc2c(n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 6/20 0.46
TP53 P04637 4/20 0.46
DHFR P00374 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
POLB P06746 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL2907270 0.81 KMT2A (0.57) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL2913026 0.79 MEN1 (0.55) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL721096 0.78 KMT2A (0.57) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL17985018 0.77 KMT2A (0.56) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL30474239 0.76 KMT2A (0.61) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL16220609 0.76 MEN1 (0.61) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL16264685 0.76 KMT2A (0.55) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL29883119 0.75 KMT2A (0.63) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL1038680 0.75 KMT2A (0.63) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL10224092 0.74 RAB9A (0.53) KMT2ARAB9ANPC1MEN1MAPT

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists PFIZER INC 2004-07-08 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 KMT2A 3583/4885RAB9A 2043/4885NPC1 468/4885
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists ADRA1A, ADRA1D, ADRB1 KMT2A 3526/4885RAB9A 2636/4885NPC1 499/4885

“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.