SCHEMBL13166604

SCHEMBL13166604

CCCCn1c(/C=C/c2ccccc2)nc2ccccc21

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 11/20 0.90
▸ MAPT P10636 6/20 0.90
▸ TP53 P04637 5/20 0.90
▸ TDP1 Q9NUW8 3/20 0.90
▸ ALDH1A1 P00352 12/20 0.84
▸ KDM4E B2RXH2 10/20 0.84
▸ RAB9A P51151 9/20 0.84
▸ GAA P10253 9/20 0.84
▸ NPC1 O15118 8/20 0.84
▸ HPGD P15428 8/20 0.84
▸ L3MBTL1 Q9Y468 8/20 0.84
▸ GLA P06280 7/20 0.84
▸ CYP1A2 P05177 1/20 0.84
▸ CYP3A4 P08684 1/20 0.84
▸ CYP2D6 P10635 1/20 0.84
▸ CYP2C19 P33261 1/20 0.84
▸ PKM P14618 3/20 0.74
▸ NFKB1 P19838 3/20 0.74
▸ NFKB2 Q00653 3/20 0.74
▸ RELA Q04206 3/20 0.74

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
SCHEMBL22822638 0.92 SMN1; SMN2 (1.00) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL29467866 0.92 SMN1; SMN2 (1.00) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL22822870 0.90 SMN1; SMN2 (0.73) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL18969781 0.85 KDM4E (1.00) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL22822619 0.79 KDM4E (1.00) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL22822636 0.78 ALDH1A1 (0.76) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL8551153 0.77 NPC1 (1.00) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL21749197 0.77 SMN1; SMN2 (0.69) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL21749198 0.77 SMN1; SMN2 (0.69) SMN1; SMN2MAPTTP53TDP1ALDH1A1
SCHEMBL28701140 0.76 SMN1; SMN2 (0.72) SMN1; SMN2MAPTTP53TDP1ALDH1A1

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-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
US-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 — — 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-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS UGCG, MAGT1, STT3B SMN1; SMN2 3220/4885MAPT 4120/4885TP53 4465/4885
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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