SCHEMBL20953498

SCHEMBL20953498

C=CCC(CC)(CC)c1ccc(Oc2ccc(N)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SLC6A4 P31645 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ HSPB1 P04792 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ KIF11 P52732 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
SCHEMBL20470550 0.87 RAB9A (0.42) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL23228767 0.83 PARP10 (0.44) MAPTMAPK1SLC6A4HTR2AKCNH2
SCHEMBL21166650 0.83 MAPT (0.57) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL23228801 0.81 RAB9A (0.45) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL24091750 0.81 HSPB1 (0.51) MAPTL3MBTL1ALDH1A1HSPB1
SCHEMBL23228792 0.80 ALDH1A1 (0.44) MAPTLMNAALDH1A1HPGDMAPK1
SCHEMBL31225194 0.79 RAB9A (0.65) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL15054858 0.79 RAB9A (0.65) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL23228809 0.79 SLC6A2 (0.46) MAPTALDH1A1HPGDSLC6A4
SCHEMBL21656973 0.79 HDAC1 (0.42) MAPTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11085918-B2 Method for identifying modulators of notch signaling ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-08-10 — — US disclosed
US-20190219566-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-07-18 — — US disclosed
US-10274481-B2 Method for identifying modulators of notch signaling ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-04-30 — — 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 (3 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-10274481-B2 Method for identifying modulators of notch signaling NOTCH3, NOTCH1, NOTCH4 MAPT 3343/4885RAB9A 3388/4885NPC1 1941/4885
US-20190219566-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING NOTCH3, NOTCH1, NOTCH4 MAPT 3343/4885RAB9A 3388/4885NPC1 1941/4885
US-11085918-B2 Method for identifying modulators of notch signaling NOTCH3, NOTCH1, NOTCH4 MAPT 3343/4885RAB9A 3388/4885NPC1 1941/4885

“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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