SCHEMBL6716752

SCHEMBL6716752

O=Cc1ccccc1-c1noc2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
ESR1 P03372 5/20 0.39
ESR2 Q92731 5/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TNKS O95271 1/20 0.35
THRB P10828 1/20 0.34
DHODH Q02127 1/20 0.34
HTR3A P46098 2/20 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
SCHEMBL6712641 0.89 ESR1 (0.44) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6709989 0.88 PTPN1 (0.47) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6716786 0.88 PTPN1 (0.47) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6712825 0.83 ESR1 (0.50) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6712887 0.83 ESR1 (0.47) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL6711107 0.82 ESR1 (0.50) PTPN1ESR1ESR2MEN1KMT2A
SCHEMBL2478126 0.75 CYP17A1 (0.39) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL26982244 0.75 GPR3 (0.32) ESR1ESR2
SCHEMBL29898859 0.75 GPR3 (0.32) ESR1ESR2
SCHEMBL27128132 0.75 GPR3 (0.32) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-06-13 US disclosed
EP-4301745-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
WO-2022185055-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 WO disclosed
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 (3 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-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 PTPN1 1653/4885ESR1 4698/4885ESR2 2847/4885
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.