SCHEMBL1109926

SCHEMBL1109926

Cc1cnc(C(O)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
KDR P35968 1/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NOS1 P29475 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3217762 0.75 CHRM3 (0.42) CYP19A1KMT2ALMNA
SCHEMBL14615743 0.74 CYP2A6 (0.39) CYP19A1KMT2ASMN1; SMN2ALDH1A1CFTR
SCHEMBL129440 0.68 MLYCD (0.40) ALDH1A1TP53HTTNOS1
SCHEMBL23425510 0.68 CYP19A1 (0.38) CYP19A1KMT2ASMN1; SMN2ALDH1A1CFTR
SCHEMBL14291433 0.68 NPSR1 (0.40) CYP19A1KMT2ASMN1; SMN2ALDH1A1CFTR
SCHEMBL23425483 0.67 CYP19A1 (0.44) CYP19A1KMT2ASMN1; SMN2ALDH1A1CFTR
SCHEMBL23425507 0.67 CYP19A1 (0.51) CYP19A1KMT2ASMN1; SMN2ALDH1A1CFTR
Triphenylmethanol SCHEMBL6057181 0.66 CYP19A1 (0.48) CYP19A1KMT2AALDH1A1
SCHEMBL128024 0.66 NOS1 (0.44) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL14151845 0.66 NOS1 (0.50) KMT2ASMN1; SMN2NPC1RAB9AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 CN disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
CN-101282949-A Azole and thiazole derivatives and their use ARGENTA DISCOVERY LTD (GB) 2008-10-08 CN disclosed
EP-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 CYP19A1 858/4885KMT2A 4199/4885SMN1; SMN2 4171/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CYP19A1 1716/4885KMT2A 2826/4885SMN1; SMN2 4240/4885

“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.