SCHEMBL2129885

SCHEMBL2129885

Cc1ccccc1N(c1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL14298063 0.89 ALDH1A1 (0.35) ACHEALDH1A1LMNAMEN1KMT2A
SCHEMBL3366743 0.89 ALDH1A1 (0.39) ACHEALDH1A1LMNATSHRMEN1
SCHEMBL3364803 0.84 ALDH1A1 (0.45) ACHEALDH1A1LMNATSHRMEN1
SCHEMBL14926297 0.82 ALDH1A1 (0.38) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4316561 0.80 RELA (0.42) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL8943789 0.80 ACHE (0.45) ACHEALDH1A1LMNATSHRMAPT
SCHEMBL17618197 0.79 PTGER1 (0.38) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL7486408 0.78 ACHE (0.43) ACHEALDH1A1LMNATSHRMEN1
SCHEMBL4893894 0.78 ACHE (0.43) ACHEALDH1A1LMNATSHRMAPT
SCHEMBL15768410 0.78 ALDH1A1 (0.44) ALDH1A1LMNATSHRKMT2AL3MBTL1

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-9362506-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-07 US disclosed
US-20140291654-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2014-10-02 US disclosed
US-8815417-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-26 US disclosed
US-20120097929-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 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-20120097929-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY2, CRY1, CCNE2 ACHE 1470/4885ALDH1A1 40/4885LMNA 2850/4885

“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.