SCHEMBL981500

SCHEMBL981500

c1ccc2c(-c3ncon3)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TDO2 P48775 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GPR55 Q9Y2T6 1/20 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
SCHEMBL28228155 0.77 HSD17B10 (0.59) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL28399449 0.76 MEN1 (0.65) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL15903807 0.74 TDO2 (0.56) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL1202543 0.73 IMPDH2 (0.63) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL1563156 0.72 HSD17B10 (0.50) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL20017674 0.72 PDGFRB (0.65) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL2929592 0.72 IMPDH2 (0.46) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL27695699 0.71 CLK1 (0.53) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL16481896 0.71 IGF1R (0.49) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL6422966 0.70 KDM4E (0.47) HSD17B10MAPK1MAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214238-B Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2022-07-22 CN claimed
CN-113200971-B Synthesis and application of indole oxadiazole derivative with aryl piperazine structure 济南大学 2022-06-28 CN claimed
CN-113214238-A Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2021-08-06 CN claimed
CN-113200971-A Synthesis and application of indole oxadiazole derivative with aromatic piperazine structure 济南大学 2021-08-03 CN claimed
CN-113214238-B Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2022-07-22 CN disclosed
CN-113214238-B Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2022-07-22 CN disclosed
CN-113200971-B Synthesis and application of indole oxadiazole derivative with aryl piperazine structure 济南大学 2022-06-28 CN disclosed
CN-113200971-B Synthesis and application of indole oxadiazole derivative with aryl piperazine structure 济南大学 2022-06-28 CN disclosed
CN-113214238-A Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2021-08-06 CN disclosed
CN-113214238-A Preparation and application of indole oxadiazole derivative with acylated piperazine structure 济南大学 2021-08-06 CN disclosed
CN-113200971-A Synthesis and application of indole oxadiazole derivative with aromatic piperazine structure 济南大学 2021-08-03 CN disclosed
CN-113200971-A Synthesis and application of indole oxadiazole derivative with aromatic piperazine structure 济南大学 2021-08-03 CN disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
US-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 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 (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-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 IMPDH2 4821/4885HSD17B10 1602/4885MAPK1 382/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS IMPDH2 812/4885HSD17B10 1276/4885MAPK1 4248/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS IMPDH2 477/4885HSD17B10 886/4885MAPK1 4384/4885

“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.