SCHEMBL3226659

SCHEMBL3226659

CCN(CC)C(Cl)(Cl)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.47
KCNA5 P22460 2/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3213096 0.80 KCNA5 (0.46) CYP19A1KCNA5CHRNB2CHRNA4KDM4E
SCHEMBL11623047 0.74 CYP19A1 (0.60) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL27960317 0.74 CYP19A1 (0.60) CYP19A1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL4981210 0.73 CYP19A1 (0.59) CYP19A1KCNA5LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10578749 0.71 CYP19A1 (0.57) CYP19A1KCNA5LMNACYP1A2CYP3A4
SCHEMBL28814528 0.71 CYP19A1 (0.47) CYP19A1KCNA5LMNACYP1A2CYP3A4
SCHEMBL10191716 0.71 CYP19A1 (0.52) CYP19A1KCNA5LMNACYP1A2CYP3A4
SCHEMBL13194995 0.71 CYP19A1 (0.52) CYP19A1KCNA5CHRNB2CHRNA4LMNA
SCHEMBL3739351 0.70 LMNA (0.40) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL10354473 0.70 CYP19A1 (0.58) CYP19A1KCNA5LMNACYP1A2CYP3A4

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-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION LANXESS DEUTSCHLAND GMBH (DE) 2010-02-11 US claimed
US-20050085474-A1 Fluorinating reagents and their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-04-21 US claimed
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION LANXESS DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20050085474-A1 Fluorinating reagents and their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-04-21 US disclosed
EP-1437342-A2 Fluorinating reactants and process for their preparation Bayer Chemicals AG (DE) 2004-07-14 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 (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-20050085474-A1 Fluorinating reagents and their preparation FLNA, ARFGEF1, FLNB CYP19A1 1245/4885KCNA5 2236/4885CHRNB2 1628/4885
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION FLNA, ARFGEF1, FLNB CYP19A1 1245/4885KCNA5 2236/4885CHRNB2 1628/4885

“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.