SCHEMBL18919161

SCHEMBL18919161

COc1ccc(CCN2CCN(C(=O)/C=C/c3c(C)[nH]c4ccc(OC)cc34)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 1/20 0.51
▸ GSK3B P49841 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CDK2 P24941 1/20 0.43
▸ CDK16 Q00536 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ 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
SCHEMBL18919163 1.00 PIKFYVE (0.51) PIKFYVEGSK3BSIGMAR1KMT2AACHE
SCHEMBL16739358 0.95 PIKFYVE (0.48) PIKFYVEGSK3BKMT2AACHEMAPT
SCHEMBL18919111 0.95 PIKFYVE (0.48) PIKFYVEGSK3BKMT2AACHEMAPT
SCHEMBL18919206 0.95 PIKFYVE (0.49) PIKFYVESIGMAR1KMT2AACHEMAPT
SCHEMBL18919203 0.95 PIKFYVE (0.49) PIKFYVESIGMAR1KMT2AACHEMAPT
SCHEMBL18919117 0.92 SIGMAR1 (0.54) PIKFYVESIGMAR1KMT2AACHEMAPT
SCHEMBL18919115 0.92 SIGMAR1 (0.54) PIKFYVESIGMAR1KMT2AACHEMAPT
SCHEMBL18919232 0.91 DRD2 (0.49) SIGMAR1KMT2AACHEMAPTDRD2
SCHEMBL18919231 0.91 DRD2 (0.49) SIGMAR1KMT2AACHEMAPTDRD2
SCHEMBL18919089 0.89 RXFP1 (0.48) PIKFYVEKMT2AMAPTDRD2DRD3

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 PIKFYVE 1833/4885GSK3B 764/4885SIGMAR1 2217/4885

“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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