SCHEMBL16661193

SCHEMBL16661193

CSc1n[nH]c(-c2ccc(Br)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCUN1D1 Q96GG9 5/20 0.69
▸ ATM Q13315 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ DGAT1 O75907 1/20 0.51
▸ NR1H2 P55055 1/20 0.51
▸ NR1H3 Q13133 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ALPL P05186 2/20 0.46
▸ TYMP P19971 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL8158453 0.82 DCUN1D1 (0.74) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL7635074 0.80 DCUN1D1 (0.71) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL16661001 0.77 DCUN1D1 (0.49) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL16661004 0.74 DCUN1D1 (0.48) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL16661263 0.74 DCUN1D1 (0.48) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL16661030 0.74 DCUN1D1 (0.49) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL16661201 0.73 DCUN1D1 (0.57) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL8729070 0.72 ALPL (0.67) NPC1RAB9AKDM4EPOLBDGAT1
SCHEMBL8400430 0.71 DCUN1D1 (0.68) DCUN1D1ATMNPC1RAB9AKDM4E
SCHEMBL14027546 0.70 ROCK2 (0.68) DCUN1D1NPC1RAB9ADGAT1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 — — EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 — — 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 (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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DCUN1D1 276/4885ATM 1998/4885NPC1 796/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DCUN1D1 276/4885ATM 1998/4885NPC1 796/4885

“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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