SCHEMBL1605929

SCHEMBL1605929

Clc1ccc2cc(-c3cncc(OCc4ccccc4)c3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
CYP19A1 P11511 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
INPPL1 O15357 3/20 0.41
BACE1 P56817 1/20 0.41
PRMT5 O14744 3/20 0.40

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
SCHEMBL28060642 0.87 CYP19A1 (0.51) RAB9ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1605965 0.85 BACE1 (0.50) RAB9AALDH1A1KDM4EMEN1NPC1
SCHEMBL1606949 0.83 CYP11B1 (0.48) RAB9ACDK5CDK5R1ALDH1A1KDM4E
SCHEMBL7951268 0.77 CDK5 (0.54) RAB9ACDK5CDK5R1ALDH1A1KDM4E
SCHEMBL18443835 0.77 AURKA (0.45) RAB9ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6425489 0.76 CYP19A1 (0.47) RAB9ACDK5CDK5R1ALDH1A1KDM4E
SCHEMBL7057444 0.76 CHRNB2 (0.49) CHRNB2CHRNA4MAPTKMT2ALMNA
SCHEMBL4890810 0.75 ALOX5 (0.57) RAB9AALDH1A1KDM4EMEN1NPC1
SCHEMBL31240805 0.74 PRMT5 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL30385356 0.73 CHRNB2 (0.48) RAB9ACHRNB2CHRNB4CHRNA3CHRNA7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (3 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 4325/4885CDK5 2743/4885CDK5R1 2894/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 4325/4885CDK5 2743/4885CDK5R1 2894/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 4399/4885CDK5 2464/4885CDK5R1 2947/4885

“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.