SCHEMBL21481291

SCHEMBL21481291

c1ccc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
NOTUM Q6P988 1/20 0.47
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
PIK3CA P42336 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
IMPDH2 P12268 1/20 0.42

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
SCHEMBL21481227 0.98 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL21485439 0.98 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL21481308 0.98 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL21481304 0.97 NOTUM (0.52) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL21481289 0.97 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL21485436 0.97 NOTUM (0.52) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL25871446 0.93 NOTUM (0.52) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL25460474 0.92 MAPT (0.49) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL21481382 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL25460479 0.92 MAPT (0.48) SMN1; SMN2MAPTALDH1A1TSHRHTT

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-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE PIEZO1, OR10J3, OR51E2 SMN1; SMN2 3752/4885MAPT 2450/4885ALDH1A1 108/4885

“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.