SCHEMBL7221502

SCHEMBL7221502

Cc1cccc(C)c1OC(=O)CCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 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
SCHEMBL1751993 0.82 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL19163738 0.82 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL5834129 0.80 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL4644491 0.79 POLB (0.51) L3MBTL1KMT2AMEN1ATMALDH1A1
SCHEMBL10500417 0.78 TDP1 (0.55) L3MBTL1ATMALDH1A1KDM4ETUBB4A
Hydrochloric Acid SCHEMBL7314768 0.78 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL10792928 0.78 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL2058958 0.78 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL28517396 0.78 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2AMEN1ATM
SCHEMBL28875517 0.77 TDP1 (0.54) L3MBTL1ATMALDH1A1KDM4ETUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576791-B1 Local anesthetic compounds and uses THERAVANCE, INC. 2003-06-10 US disclosed
US-20030044845-A1 Novel therapeutic agents for membrane transporters THERAVANCE BIOPHARMA R&D IP, LLC 2003-03-06 US disclosed
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US disclosed
US-6462034-B1 MULTIBINDING COMPOUNDS CONTAINING A SYMETRICAL DIAMINOTETRA-ETHERDODECANE RING WITH TWO SECONDARY AMIDE AND ADDITIONAL SUBSTITUENTS; VOLTAGE GATED SODIUM CHANNEL MODULATORS; LONG DURATION THERAVANCE, INC. 2002-10-08 US disclosed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed
WO-1999064045-A9 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-07-05 WO disclosed
EP-1089749-A4 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-04-11 EP disclosed
EP-1089749-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS Advanced Medicine, Inc. (US) 2001-04-11 EP disclosed
EP-1066245-A4 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 2001-01-24 EP disclosed
EP-1066245-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES Advanced Medicine, Inc. (US) 2001-01-10 EP disclosed
WO-1999064045-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999051565-A9 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 1999-12-02 WO disclosed
WO-1999051565-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE, INC. (US) 1999-10-14 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 (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-20030044845-A1 Novel therapeutic agents for membrane transporters SLC47A2, SLC8B1, SLC47A1 SMN1; SMN2 4740/4885L3MBTL1 3630/4885KMT2A 4305/4885

“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.