SCHEMBL16396168

SCHEMBL16396168

O=[N+]([O-])c1cc(-c2ccc(F)cc2F)cc(N2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.39
ALOX12 P18054 1/20 0.38

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
SCHEMBL21819356 0.82 CYP19A1 (0.52) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29646647 0.82 CYP19A1 (0.52) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2979600 0.77 MAPT (0.54) MAPTPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL16402116 0.77 ALDH1A1 (0.45) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL16342390 0.75 TSHR (0.50) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL19433252 0.75 TDP1 (0.45) ALDH1A1ATMTDP1
SCHEMBL16396314 0.75 TDP1 (0.45) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16402212 0.72 HSPB1 (0.46) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16396032 0.72 VCAM1 (0.54) KMT2AMEN1ATMTDP1
SCHEMBL20557366 0.72 AKR1C3 (0.60) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 WO 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A MAPT 4514/4885POLB 4570/4885ALDH1A1 1646/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A MAPT 4514/4885POLB 4570/4885ALDH1A1 1646/4885

“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.