SCHEMBL4506472

SCHEMBL4506472

O=C1C(Cc2ccc(F)cc2Cl)CCN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
IDE P14735 1/20 0.39
P2RX7 Q99572 10/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 2/20 0.37

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
SCHEMBL5132089 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2P2RX7MAPTCYP2C9
SCHEMBL4517200 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2P2RX7MAPTMEN1
SCHEMBL4515192 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4512825 0.84 ATM (0.41) ALDH1A1SMN1; SMN2MAPTMEN1CYP2D6
SCHEMBL4507429 0.81 EPHX2 (0.37) ALDH1A1SMN1; SMN2P2RX7MAPTKDM4E
SCHEMBL4508244 0.80 MLNR (0.34) ALDH1A1SMN1; SMN2IDEP2RX7MEN1
SCHEMBL4517746 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2IDEP2RX7MAPT
SCHEMBL5127854 0.78 P2RX7 (0.38) ALDH1A1SMN1; SMN2IDEP2RX7CYP2C9
SCHEMBL14365202 0.78 CYP2D6 (0.37) ALDH1A1SMN1; SMN2P2RX7MEN1CYP2D6
SCHEMBL13674467 0.77 BRD4 (0.33) ALDH1A1SMN1; SMN2MEN1CYP2D6CYP2C9

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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ALDH1A1 51/4885SMN1; SMN2 4487/4885IDE 159/4885

“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.