SCHEMBL18810941

SCHEMBL18810941

O=[N+]([O-])c1ccccc1-c1ccc(Cl)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 4/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
HSD11B1 P28845 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
GUSB P08236 1/20 0.43
F2 P00734 1/20 0.43
C1R P00736 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPRC P08575 1/20 0.42
S100A4 P26447 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
SCHEMBL16582329 0.89 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMEN1CYP1A2
SCHEMBL15055546 0.85 TDP1 (0.67) ALDH1A1TDP1KMT2AMEN1GAA
SCHEMBL1379532 0.81 TDP1 (0.61) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL4583256 0.81 ALDH1A1 (0.59) ALDH1A1TDP1KDM4ECYP1A2HSD11B1
SCHEMBL17841985 0.81 HPRT1 (0.52) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL30535903 0.80 ALDH1A1 (0.74) ALDH1A1TDP1KMT2AMEN1CYP1A2
SCHEMBL1287837 0.80 ALDH1A1 (0.74) ALDH1A1TDP1KMT2AMEN1CYP1A2
SCHEMBL17035141 0.80 ALDH1A1 (0.75) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL15845436 0.80 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL15845450 0.80 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AMEN1HSD11B1

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-20170125688-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-04 US disclosed
US-20170125688-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-04 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-20170125688-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 ALDH1A1 210/4885TDP1 584/4885KMT2A 2336/4885

“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.