SCHEMBL14019802

SCHEMBL14019802

CCOC(=O)c1c(I)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
MAPT P10636 5/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 4/20 0.52
F2RL3 Q96RI0 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PLA2G2A P14555 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
FOLH1 Q04609 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL19159661 0.88 TSHR (0.53) TSHRMAPTGAAKDM4ELMNA
SCHEMBL8688955 0.87 CCR2 (0.59) TSHRMAPTGAAKDM4ELMNA
SCHEMBL17625298 0.87 F10 (0.58) TSHRMAPTGAAKDM4ELMNA
SCHEMBL9538311 0.84 CCR2 (0.60) TSHRMAPTGAAKDM4ELMNA
SCHEMBL27967615 0.82 FOLH1 (0.62) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL6863754 0.81 TDP1 (0.51) TSHRMAPTGAAKDM4ELMNA
SCHEMBL8687175 0.80 PTGER4 (0.52) TSHRMAPTGAAKDM4ELMNA
SCHEMBL8689676 0.80 ALDH1A1 (0.56) TSHRMAPTGAAKDM4EPKM
SCHEMBL3388130 0.79 MAPT (0.76) TSHRMAPTGAAKDM4ELMNA
SCHEMBL12804727 0.79 HDAC6 (0.60) MAPTGAAKDM4ELMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283378-A1 INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-10-05 US disclosed
US-20170283378-A1 INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-10-05 US disclosed
EP-3196190-A1 INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2017-07-26 EP disclosed
WO-2016042194-A1 INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2016-03-24 WO disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US 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-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SLC39A14, MAL2, AHR TSHR 621/4885MAPT 2544/4885GAA 1780/4885
US-20170283378-A1 INDOLE DERIVATIVES FOR THE PREVENTION AND/OR TREATMENT OF DIABETES AND ASSOCIATED METABOLIC DISORDERS GPR119, AK2, AADAT TSHR 1088/4885MAPT 2240/4885GAA 2724/4885

“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.