SCHEMBL6716786

SCHEMBL6716786

O=Cc1cc(F)ccc1-c1noc2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
HTR3A P46098 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SCD O00767 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 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
SCHEMBL6716752 0.88 PTPN1 (0.44) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6712825 0.88 ESR1 (0.50) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6709989 0.88 PTPN1 (0.47) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6712729 0.82 ALDH1A1 (0.40) PTPN1ESR1ESR2KMT2AALDH1A1
SCHEMBL6716798 0.80 EPHX2 (0.43) PTPN1ESR1ESR2ALDH1A1HSP90AA1
SCHEMBL6712641 0.77 ESR1 (0.44) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6712887 0.77 ESR1 (0.47) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL13209746 0.76 PTPN1 (0.45) PTPN1MEN1KMT2ALMNAKDM4E
SCHEMBL27443248 0.72 ESR1 (0.48) PTPN1ESR1ESR2KMT2ALMNA
SCHEMBL6714356 0.71 ESR1 (0.50) PTPN1ESR1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
CN-1139580-C Substituted benzylamines and their use for the treatment of depression ��˹��ŵ�� 2004-02-25 CN disclosed
EP-0898566-B1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL NV (NL) 2002-11-06 EP disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
CN-1219169-A Substituted benzylamines and their use for the treatment of depression AKZO NOBEL NV (NL) 1999-06-09 CN disclosed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP disclosed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PTPN1 4861/4885ESR1 2865/4885ESR2 1589/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PTPN1 4861/4885ESR1 2865/4885ESR2 1589/4885

“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.