SCHEMBL20006913

SCHEMBL20006913

Cc1ccccc1N1C=CN(c2c(C)cccc2C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ADRB1 P08588 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MGLL Q99685 1/20 0.37
ATM Q13315 1/20 0.36
ALOX5 P09917 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL1156328 0.90 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HPGDADRB1MEN1
Hydrochloric Acid SCHEMBL1155766 0.88 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HPGDADRB1MEN1
SCHEMBL820124 0.88 CYP1A2 (0.38) ALDH1A1MEN1KMT2AMAPTTSHR
Iodide SCHEMBL28719254 0.86 KDM4E (0.38) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL29672565 0.86 CYP1A2 (0.36) ALDH1A1MEN1KMT2AMAPTTSHR
Hydrochloric Acid SCHEMBL820541 0.86 CYP1A2 (0.36) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL20365239 0.83 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDADRB1MGLL
SCHEMBL22427651 0.81 MAPT (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL12514330 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDADRB1MEN1
SCHEMBL16728719 0.78 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDADRB1MEN1

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-10276805-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-04-30 US disclosed
US-20180090691-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-03-29 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-20180090691-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EML4, TYR, CPNE4 SMN1; SMN2 2417/4885ALDH1A1 2007/4885HPGD 3249/4885
US-10276805-B2 Organic electroluminescent materials and devices EML4, TYR, CPNE4 SMN1; SMN2 2417/4885ALDH1A1 2007/4885HPGD 3249/4885

“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.