SCHEMBL22822804

SCHEMBL22822804

CC(C)CCn1c(/C=C/c2ccc(F)cc2)nc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 12/20 0.81
▸ MAPT P10636 9/20 0.81
▸ TP53 P04637 7/20 0.81
▸ POLB P06746 1/20 0.81
▸ ALDH1A1 P00352 11/20 0.62
▸ RAB9A P51151 11/20 0.62
▸ KDM4E B2RXH2 10/20 0.62
▸ NPC1 O15118 9/20 0.62
▸ L3MBTL1 Q9Y468 7/20 0.62
▸ GAA P10253 6/20 0.62
▸ GLA P06280 5/20 0.62
▸ LMNA P02545 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ HPGD P15428 6/20 0.60
▸ TDP1 Q9NUW8 4/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ NFKB1 P19838 3/20 0.55

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
SCHEMBL22823061 0.88 SMN1; SMN2 (0.81) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL22822870 0.84 SMN1; SMN2 (0.73) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL22822793 0.78 KDM4E (0.79) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL20767462 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL20767461 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL22822619 0.77 KDM4E (1.00) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL22822869 0.75 KDM4E (0.81) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL29467866 0.75 SMN1; SMN2 (1.00) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL22822638 0.75 SMN1; SMN2 (1.00) SMN1; SMN2MAPTTP53POLBALDH1A1
SCHEMBL16291785 0.75 SMN1; SMN2 (0.64) SMN1; SMN2MAPTTP53POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2021-12-23 — — US disclosed
US-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2020-12-24 — — 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 (2 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-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A SMN1; SMN2 379/4885MAPT 204/4885TP53 2291/4885
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A SMN1; SMN2 379/4885MAPT 204/4885TP53 2291/4885

“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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