SCHEMBL4462214

SCHEMBL4462214

COc1cc2c(c(C)c1C)N(C(=S)Nc1ccccc1Br)CC1(CCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
KMT2A Q03164 4/20 0.39
GAA P10253 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CXCR6 O00574 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4466453 0.77 CNR1 (0.32) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL4482479 0.74 CYP2D6 (0.33) ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4464426 0.67 NPC1 (0.38) KMT2AGAAMEN1KDM4EALDH1A1
SCHEMBL4462865 0.67 ALDH1A1 (0.32) KDM4EALDH1A1
SCHEMBL4468214 0.64 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL4467811 0.61 ALDH1A1 (0.40) ATMGAAKDM4EALDH1A1POLB
SCHEMBL28915207 0.58 ALDH1A1 (0.54) KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL28574827 0.58 ALDH1A1 (0.54) GAAKDM4ENPSR1ALDH1A1POLB
SCHEMBL4469737 0.57 LMNA (0.35) ATMKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4467332 0.56 ALDH1A1 (0.34) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 ATM 3645/4885KMT2A 3967/4885GAA 941/4885

“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.