SCHEMBL21928516

SCHEMBL21928516

N#Cc1ncccc1-c1ccc(-c2ccccc2N2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MGLL Q99685 1/20 0.35
KDM1A O60341 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
METAP2 P50579 1/20 0.33
HPGD P15428 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAOA P21397 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
SCHEMBL21927655 0.91 ALDH1A1 (0.38) ALDH1A1HTTHSD17B10KMT2AMEN1
SCHEMBL21929618 0.89 KMT2A (0.40) ALDH1A1HTTHSD17B10KMT2AMEN1
SCHEMBL21927957 0.85 ALDH1A1 (0.35) ALDH1A1HTTHSD17B10KMT2AMEN1
SCHEMBL21927945 0.84 ALDH1A1 (0.43) ALDH1A1HTTHSD17B10KMT2AMEN1
SCHEMBL21929619 0.83 ALDH1A1 (0.44) ALDH1A1HTTHSD17B10KMT2AMEN1
SCHEMBL21927187 0.83 PRMT5 (0.36) ALDH1A1HTTHSD17B10KMT2AMEN1
SCHEMBL21928466 0.82 ALDH1A1 (0.40) ALDH1A1HTTHSD17B10PRMT5WDR77
SCHEMBL21927346 0.81 PRMT5 (0.35) ALDH1A1HTTHSD17B10KMT2AMEN1
SCHEMBL28367159 0.80 LMNA (0.42) ALDH1A1KMT2AMEN1MGLLSMN1; SMN2
SCHEMBL21929624 0.80 HTT (0.41) ALDH1A1HTTHSD17B10KMT2AMEN1

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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 (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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 ALDH1A1 511/4885HTT 2197/4885HSD17B10 3516/4885

“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.