SCHEMBL4871807

SCHEMBL4871807

O=C(c1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.64
ESR2 Q92731 2/20 0.64
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NR3C2 P08235 2/20 0.51
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PIN1 Q13526 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
SCHEMBL16291799 0.93 ESR1 (0.65) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL27443700 0.86 ESR1 (0.78) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL3035395 0.84 NR3C2 (0.47) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL9001714 0.83 NR3C2 (0.62) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL1003807 0.83 NPSR1 (0.61) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL28584481 0.81 MEN1 (0.54) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL6555569 0.81 ALDH1A1 (0.51) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL28324842 0.80 NR3C2 (0.58) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL9001693 0.79 NPSR1 (0.61) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL2113010 0.78 ESR1 (0.64) ESR1ESR2ALDH1A1MEN1KMT2A

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-7321066-B2 Method for producing aromatic diamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2008-01-22 US disclosed
CN-100340540-C Process for producing aromatic diamine derivative IDEMITSU KOSAN CO (JP) 2007-10-03 CN disclosed
CN-1753860-A Process for producing aromatic diamine derivative IDEMITSU KOSAN CO (JP) 2006-03-29 CN disclosed
US-20060063952-A1 Method for producing aromatic diamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2006-03-23 US disclosed
EP-1593665-A1 METHOD FOR PRODUCING AROMATIC DIAMINE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2005-11-09 EP 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-20060063952-A1 Method for producing aromatic diamine derivative NAT1, AHR, AADAC ESR1 2813/4885ESR2 661/4885ALDH1A1 188/4885

“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.