SCHEMBL1606452

SCHEMBL1606452

Fc1cncc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.62
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
ITK Q08881 3/20 0.47
VCP P55072 1/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46

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
SCHEMBL25168239 0.88 CYP19A1 (0.72) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL1606684 0.84 CYP1A1 (0.54) CYP19A1KDM4EMAPTALDH1A1HPGD
SCHEMBL1606293 0.82 NPC1 (0.65) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL1919663 0.81 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL29482430 0.81 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL4247549 0.81 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL1606850 0.81 CYP19A1 (0.62) CYP19A1NPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL5534558 0.80 CYP19A1 (0.60) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL27800723 0.78 NPC1 (0.67) CYP19A1NPC1RAB9AKDM4EMAPT
SCHEMBL29804758 0.78 NPC1 (0.67) CYP19A1NPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP 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
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 (4 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 CYP19A1 68/4885NPC1 142/4885RAB9A 4325/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 68/4885NPC1 142/4885RAB9A 4325/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 55/4885NPC1 171/4885RAB9A 4399/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 55/4885NPC1 171/4885RAB9A 4399/4885

“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.