SCHEMBL3513673

SCHEMBL3513673

[O]CCNC(=O)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.64
KDM4E B2RXH2 1/20 0.64
HTT P42858 2/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 1/20 0.61
EPHX2 P34913 1/20 0.61
CDK9 P50750 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CNR1 P21554 1/20 0.54

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
SCHEMBL11051077 0.90 EPHX1 (0.70) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL3514882 0.89 EPHX1 (0.70) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL2446111 0.86 EPHX1 (0.77) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL9547553 0.84 EPHX1 (0.83) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL325607 0.84 EPHX1 (0.64) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL2894033 0.84 EPHX1 (0.64) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL19420655 0.84 EPHX1 (0.83) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL18536811 0.83 EPHX1 (0.68) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL2451040 0.82 EPHX1 (0.75) EPHX1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL5852143 0.82 EPHX1 (0.62) EPHX1KDM4EHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB EPHX1 1756/4885KDM4E 898/4885HTT 4132/4885

“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.