SCHEMBL6478661

SCHEMBL6478661

O=[N+]([O-])c1cc([C@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ADAMTS4 O75173 1/20 0.36
CTSV O60911 4/20 0.36
CTSL P07711 4/20 0.36
POLB P06746 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PSEN1 P49768 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6478658 1.00 MEN1 (0.39) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7039802 0.91 MEN1 (0.41) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7039596 0.90 CTSV (0.43) MEN1KMT2ACTSVCTSLPOLB
SCHEMBL7036429 0.88 KMT2A (0.41) MEN1KMT2ANPC1RAB9ACTSV
SCHEMBL7036432 0.88 KMT2A (0.41) MEN1KMT2ANPC1RAB9ACTSV
SCHEMBL6479308 0.88 CTSV (0.40) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL6479313 0.88 CTSV (0.40) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL6493557 0.87 ADAMTS4 (0.37) ADAMTS4PTGESALOX5PSEN1
SCHEMBL6493560 0.87 ADAMTS4 (0.37) ADAMTS4PTGESALOX5PSEN1
SCHEMBL6491040 0.85 CTSV (0.33) MEN1KMT2ANPC1RAB9AATM

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 MEN1 4437/4885KMT2A 2316/4885NPC1 1561/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 MEN1 3735/4885KMT2A 1858/4885NPC1 2231/4885

“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.