SCHEMBL21749197

SCHEMBL21749197

C=CCn1c(/C=C/c2ccccc2)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 11/20 0.69
▸ ALDH1A1 P00352 10/20 0.69
▸ RAB9A P51151 9/20 0.69
▸ KDM4E B2RXH2 9/20 0.69
▸ NPC1 O15118 8/20 0.69
▸ GLA P06280 7/20 0.69
▸ GAA P10253 7/20 0.69
▸ MAPT P10636 6/20 0.69
▸ HPGD P15428 6/20 0.69
▸ PKM P14618 3/20 0.69
▸ NFKB1 P19838 3/20 0.69
▸ NFKB2 Q00653 3/20 0.69
▸ RELA Q04206 3/20 0.69
▸ L3MBTL1 Q9Y468 7/20 0.66
▸ TP53 P04637 7/20 0.66
▸ TDP1 Q9NUW8 4/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66

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
SCHEMBL21749198 1.00 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL18969781 0.82 KDM4E (1.00) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL22822636 0.81 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL2082562 0.80 LMNA (0.57) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL29467866 0.79 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL22822638 0.79 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL22822619 0.78 KDM4E (1.00) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL20777209 0.78 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL13621737 0.78 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1
SCHEMBL13166604 0.77 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061076-A1 METHODS OF TREATING LEUKODYSTROPHIES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-02-27 — — US claimed
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-20200061076-A1 METHODS OF TREATING LEUKODYSTROPHIES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-02-27 — — 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-20200061076-A1 METHODS OF TREATING LEUKODYSTROPHIES SIGMAR1, SPTAN1, TMEM97 SMN1; SMN2 38/4885ALDH1A1 341/4885RAB9A 3311/4885
US-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A SMN1; SMN2 379/4885ALDH1A1 3559/4885RAB9A 1223/4885
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A SMN1; SMN2 379/4885ALDH1A1 3559/4885RAB9A 1223/4885

“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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