SCHEMBL16684635

SCHEMBL16684635

Cc1c(C(=O)O)oc2cc(Br)ccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.67
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
GPR35 Q9HC97 1/20 0.58
PRNP P04156 1/20 0.52
CASP6 P55212 1/20 0.49
KCNH2 Q12809 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL13155412 0.87 PRNP (0.52) MCL1KDM4EALDH1A1GPR35PRNP
SCHEMBL3617512 0.87 MCL1 (0.67) MCL1KDM4EALDH1A1GPR35CASP6
SCHEMBL17182567 0.85 PRNP (0.51) MCL1KDM4EALDH1A1GPR35PRNP
SCHEMBL31683105 0.83 NPC1 (0.59) MCL1KDM4EALDH1A1PRNPCASP6
SCHEMBL4655120 0.83 MCL1 (0.71) MCL1KDM4EALDH1A1GPR35KCNH2
SCHEMBL11286491 0.83 TSHR (0.54) MCL1KDM4EALDH1A1PRNPCASP6
SCHEMBL3500416 0.80 HIF1A (0.57) KDM4EALDH1A1PRNPKCNH2TSHR
SCHEMBL4763051 0.80 MCL1 (0.67) MCL1KDM4EALDH1A1GPR35NPC1
SCHEMBL1385653 0.80 MCL1 (1.00) MCL1KDM4EALDH1A1GPR35KCNH2
SCHEMBL5193307 0.80 MAPT (0.55) MCL1KDM4EALDH1A1GPR35PRNP

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
EP-3131893-B1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2020-02-12 EP disclosed
EP-3131893-B1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2020-02-12 EP disclosed
EP-3131893-A1 POLYCYCLIC HERG ACTIVATORS Novartis AG (CH) 2017-02-22 EP disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 US disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 US disclosed
US-20160108025-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG 2016-04-21 US disclosed
US-9255093-B2 Polycyclic HERG activators NOVARTIS AG (CH) 2016-02-09 US disclosed
US-9255093-B2 Polycyclic HERG activators NOVARTIS AG (CH) 2016-02-09 US disclosed
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 US disclosed
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 US disclosed
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 US disclosed
WO-2015161052-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 WO disclosed
WO-2015161052-A1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2015-10-22 WO disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 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-20160108025-A1 POLYCYCLIC HERG ACTIVATORS KCNH3, KCNH2, KCNJ11 MCL1 1229/4885KDM4E 2010/4885ALDH1A1 1847/4885
US-20150299181-A1 POLYCYCLIC HERG ACTIVATORS KCNH3, KCNH2, KCNJ11 MCL1 1229/4885KDM4E 2010/4885ALDH1A1 1847/4885

“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.