SCHEMBL6690772

SCHEMBL6690772

c1ccc(CNc2cccc(NCc3ccccc3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
METAP2 P50579 1/20 0.56
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 1/20 0.55
FFAR1 O14842 1/20 0.54
HTR2C P28335 1/20 0.53
KCNH3 Q9ULD8 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
LTA4H P09960 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
F2 P00734 1/20 0.50

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
SCHEMBL20804371 0.90 HTT (0.61) HTTPTPN1PTPN11FFAR1KCNH3
SCHEMBL22628164 0.87 HTT (0.71) HTTPTPN1PTPN11FFAR1KCNH3
N-Benzylaniline SCHEMBL7840 0.87 HTT (0.71) HTTPTPN1PTPN11FFAR1KCNH3
SCHEMBL15463279 0.87 METAP2 (0.62) HTTMETAP2PTPN1PTPN11FFAR1
SCHEMBL28855181 0.87 FFAR1 (0.53) HTTMETAP2PTPN1PTPN11FFAR1
SCHEMBL10054970 0.86 HDAC8 (0.61) HTTFFAR1MEN1CYP1A2CYP3A4
SCHEMBL259701 0.86 MAPT (0.65) HTTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL21477257 0.86 METAP2 (0.49) HTTMETAP2PTPN1PTPN11FFAR1
SCHEMBL1681160 0.86 HTR6 (0.54) HTTMETAP2PTPN1PTPN11FFAR1
SCHEMBL1965560 0.86 FFAR1 (0.51) HTTMETAP2PTPN1PTPN11FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974699-A Preparation method of aromatic diamine 江苏湘园化工有限公司 2023-04-18 CN disclosed
US-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups 4SC AG (DE) 2004-01-15 US disclosed
WO-2003076388-A2 BIS-ANILINE DERIVATIVES USEFUL AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2003-09-18 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 (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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups PAH, PNMT, OPRM1 HTT 2301/4885METAP2 1031/4885PTPN1 978/4885

“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.