SCHEMBL5786358

SCHEMBL5786358

COc1cc(C=C(C)[N+](=O)[O-])cc2c1OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
S1PR4 O95977 1/20 0.40
HPGD P15428 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR35 Q9HC97 1/20 0.40
KMT2A Q03164 3/20 0.39
FBP1 P09467 2/20 0.38
ABL1 P00519 1/20 0.38
ABL2 P42684 1/20 0.38
MEN1 O00255 2/20 0.35
JAK2 O60674 1/20 0.35
MITF O75030 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5786354 1.00 EGFR (0.40) EGFRLMNAALDH1A1MAPTRAB9A
SCHEMBL5784052 0.84 KMT2A (0.41) LMNAALDH1A1RAB9AKMT2ANPC1
SCHEMBL5783541 0.81 VCP (0.50) EGFRLMNAALDH1A1MAPTRAB9A
SCHEMBL5783546 0.81 VCP (0.50) EGFRLMNAALDH1A1MAPTRAB9A
SCHEMBL5787117 0.79 ALDH1A1 (0.41) LMNAALDH1A1RAB9AHPGDKMT2A
SCHEMBL5784331 0.79 KMT2A (0.39) LMNAALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL28550384 0.76 HSD17B10 (0.40) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL25182595 0.74 FBP1 (0.50) EGFRLMNAALDH1A1MAPTRAB9A
SCHEMBL1246882 0.74 PTGS2 (0.51) EGFRLMNAALDH1A1MAPTRAB9A
SCHEMBL1246880 0.74 PTGS2 (0.51) EGFRLMNAALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A EGFR 4469/4885LMNA 4533/4885ALDH1A1 572/4885

“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.