SCHEMBL20003979

SCHEMBL20003979

CC(C)(N1CCCC1)C(C)(N1CCCCC1)C(C)(C)N1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2B6 P20813 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL24106790 0.74 ALDH1A1 (0.36) TSHRLMNAHTTKMT2ACYP2B6
SCHEMBL12359948 0.74 SMN1; SMN2 (0.34) TSHRALDH1A1MAPK1SMN1; SMN2RECQL
SCHEMBL27350385 0.72 CYP2B6 (0.42) CYP2B6
SCHEMBL20436456 0.72 CYP2B6 (0.42) CYP2B6
SCHEMBL22699698 0.71 ALDH1A1 (0.37) TSHRLMNAHTTKMT2AALDH1A1
SCHEMBL946474 0.71 TSHR (0.35) TSHRLMNAMAPTHTTKMT2A
SCHEMBL679559 0.70 PDK1 (0.34) TSHRALDH1A1MAPK1SMN1; SMN2RECQL
SCHEMBL24995560 0.70 ALDH1A1 (0.40) TSHRCYP2B6ALDH1A1
SCHEMBL4320387 0.69 ALDH1A1 (0.42) TSHRKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL22756187 0.69 CYP2B6 (0.39) CYP2B6

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-20180086733-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2018-03-29 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-20180086733-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B TSHR 3383/4885LMNA 2182/4885MAPT 2420/4885

“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.