SCHEMBL6492391

SCHEMBL6492391

CC(C)(C)OC(=O)NC(CO)Cc1ccc(Oc2cnccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.43
CYP3A4 P08684 5/20 0.43
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PCNA P12004 1/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RX3 P56373 4/20 0.39
HDAC8 Q9BY41 1/20 0.38
PTPN1 P18031 2/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL6492386 1.00 KMT2A (0.46) KMT2AATMCYP3A4PLAAT3PLAAT5
SCHEMBL6488494 0.83 ATM (0.49) ATMCYP3A4ITGB3ITGA2BPCNA
SCHEMBL7688482 0.83 ATM (0.49) ATMCYP3A4ITGB3ITGA2BPCNA
SCHEMBL6488460 0.82 GRN (0.46) ATMITGB3ITGA2BPCNAP2RX3
SCHEMBL6488465 0.82 GRN (0.46) ATMITGB3ITGA2BPCNAP2RX3
SCHEMBL6478695 0.82 KDM4E (0.48) ATMITGB3ITGA2BPCNAKDM4E
SCHEMBL6478699 0.82 KDM4E (0.48) ATMITGB3ITGA2BPCNAKDM4E
SCHEMBL6478754 0.81 LMNA (0.47) ATMITGB3ITGA2BPCNAP2RX3
SCHEMBL6478751 0.81 LMNA (0.47) ATMITGB3ITGA2BPCNAP2RX3
SCHEMBL7685194 0.80 PCNA (0.47) ATMCYP3A4ITGB3ITGA2BPCNA

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 KMT2A 2316/4885ATM 3918/4885CYP3A4 754/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 KMT2A 1858/4885ATM 3785/4885CYP3A4 726/4885

“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.