SCHEMBL3344883

SCHEMBL3344883

CCOC(=O)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.64
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 1/20 0.61
GAA P10253 1/20 0.60
MAPT P10636 3/20 0.60
GPR35 Q9HC97 2/20 0.56
POLB P06746 1/20 0.54
EGFR P00533 1/20 0.49
ERBB3 P21860 1/20 0.49

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
SCHEMBL11402843 0.89 MAPT (0.63) CYP19A1ALDH1A1HPGDRAB9AGAA
SCHEMBL6391622 0.85 ALDH1A1 (0.58) CYP19A1ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL11453702 0.84 MAPT (0.58) CYP19A1ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL30599548 0.84 MAPT (0.66) ALDH1A1SMN1; SMN2HPGDRAB9AGAA
SCHEMBL1188378 0.84 MAPT (0.66) ALDH1A1SMN1; SMN2HPGDRAB9AGAA
SCHEMBL11064084 0.82 MAPT (0.68) CYP19A1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL11595669 0.82 ALDH1A1 (0.57) CYP19A1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL11065326 0.82 MAPT (0.55) CYP19A1ALDH1A1HPGDRAB9AGAA
SCHEMBL11612418 0.82 GPR35 (0.61) CYP19A1ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL11651728 0.82 HPGD (0.61) CYP19A1ALDH1A1SMN1; SMN2HPGDRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
US-4483707-A PLANT SAFTENING AGENTS CIBA-GEIGY CORPORATION (US) 1984-11-20 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD CYP19A1 618/4885ALDH1A1 530/4885SMN1; SMN2 3328/4885

“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.