SCHEMBL17491464

SCHEMBL17491464

CC(C)c1cc(NC(=O)c2cccc(Cl)c2)cc(-c2cnco2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KCNQ3 O43525 2/20 0.47
▸ KCNQ2 O43526 2/20 0.47
▸ KCNE1 P15382 2/20 0.47
▸ KCNQ1 P51787 2/20 0.47
▸ KCNQ5 Q9NR82 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LCLAT1 Q6UWP7 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KCNK3 O14649 2/20 0.44
▸ KCNK9 Q9NPC2 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ IMPDH2 P12268 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL17491381 0.87 NPC1 (0.57) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL17491446 0.82 KDM4E (0.51) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL17491475 0.82 P2RX1 (0.51) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL17491421 0.81 KDM4E (0.50) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL17491479 0.78 PGR (0.59) PKMLMNAKMT2APOLB
SCHEMBL19077869 0.78 GRM5 (0.61) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL12218356 0.75 RAB9A (0.73) NPC1KDM4ERAB9ALMNAKCNQ3
SCHEMBL17491492 0.71 ROCK2 (0.46) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL16775716 0.70 LMNA (0.48) PKMLMNAMEN1KMT2A
SCHEMBL13702109 0.69 ERN1 (0.49) NPC1KDM4EPKMRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 NPC1 498/4885KDM4E 764/4885PKM 1648/4885

“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.

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