SCHEMBL22389361

SCHEMBL22389361

CC(F)(F)c1c(N)ccc2c1NCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ SRC P12931 1/20 0.33
▸ CASP1 P29466 2/20 0.31
▸ CASP7 P55210 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20904391 0.87 SRC (0.34) SRC
SCHEMBL20904541 0.82 SRC (0.31) SRC
SCHEMBL20904510 0.78 SRC (0.36) GAASRCCASP1CASP7KDM4E
SCHEMBL20904409 0.75 SRC (0.35) SRC
SCHEMBL20898588 0.75 SRC (0.36) GAASRCCASP1CASP7KDM4E
SCHEMBL22341667 0.74 SRC (0.38) GAASRCMEN1KMT2AKDM4E
SCHEMBL22341673 0.74 SRC (0.32) GAASRCCASP1CASP7KDM4E
SCHEMBL4567536 0.72 SRC (0.35) SRCCASP1CASP7MEN1CYP1A2
SCHEMBL20898042 0.72 SRC (0.38) SRCALDH1A1HSD17B10TDP1
SCHEMBL22389359 0.71 PNMT (0.39) GAASRCMEN1KMT2AKDM4E

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-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2020-09-03 — — 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-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION KRT18, TUBA1C, TPM4 GAA 4523/4885SRC 2302/4885CASP1 1665/4885

“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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