SCHEMBL3937674

SCHEMBL3937674

COc1cc(C=O)cc(NC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ MMP1 P03956 1/20 0.40

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
SCHEMBL4330573 0.84 KMT2A (0.63) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL7464838 0.80 KMT2A (0.42) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL4977098 0.77 KMT2A (0.51) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL10285558 0.76 KMT2A (0.44) SMN1; SMN2KMT2APOLBALDH1A1MEN1
SCHEMBL1667366 0.76 KMT2A (0.50) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL20748357 0.75 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL1663786 0.75 ALDH1A1 (0.58) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL228003 0.75 CYP1A1 (0.64) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL2270599 0.74 MAPT (0.60) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL15021162 0.74 RXRA (0.47) ALDH1A1BACE1CYP2A6KDM4E

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 — — EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 — — WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 — — 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 RAB9A 1172/4885NPC1 13/4885SMN1; SMN2 1059/4885

“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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