SCHEMBL18919126

SCHEMBL18919126

COc1ccc2[nH]c(C)c(C(=O)N3CCN(CCc4cccc(F)c4)CC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.59
▸ HTR2A P28223 1/20 0.51
▸ ACHE P22303 2/20 0.51
▸ SIGMAR1 Q99720 2/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ DRD2 P14416 3/20 0.47
▸ DRD3 P35462 3/20 0.47
▸ SLC6A4 P31645 1/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 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
SCHEMBL18919216 0.93 MAPT (0.62) MAPTSIGMAR1ALDH1A1KMT2ATDP1
SCHEMBL18919147 0.90 MAPT (0.56) MAPTHTR2AACHEALDH1A1KMT2A
SCHEMBL18919079 0.90 MAPT (0.63) MAPTSIGMAR1ALDH1A1KMT2AKDM4E
SCHEMBL18919154 0.88 MAPT (0.60) MAPTHTR2ASIGMAR1ALDH1A1KMT2A
SCHEMBL18919156 0.84 ACHE (0.47) MAPTHTR2AACHESIGMAR1ALDH1A1
SCHEMBL18919158 0.84 ACHE (0.47) MAPTHTR2AACHESIGMAR1ALDH1A1
SCHEMBL18919127 0.82 RXFP1 (0.56) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL18889419 0.82 POLB (0.49) HTR2AACHEALDH1A1KMT2AKDM4E
SCHEMBL18889402 0.81 ALDH1A1 (0.51) HTR2AACHEALDH1A1KMT2AKDM4E
SCHEMBL18919100 0.80 MEN1 (0.50) HTR2AACHESIGMAR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-08 — — 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 (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-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 MAPT 2167/4885HTR2A 1880/4885ACHE 1026/4885

“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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