SCHEMBL4602941

SCHEMBL4602941

[NH]C(=O)Cn1ccc(=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
PDE4B Q07343 1/20 0.35
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9734939 0.79 AKR1B1 (0.50) SMN1; SMN2KDM4EKMT2ACA12CA9
SCHEMBL16160299 0.77 KMT2A (0.42) SMN1; SMN2KDM4ENPC1RAB9APDE4B
SCHEMBL4602946 0.77 CA12 (0.51) SMN1; SMN2KDM4ERAB9APDE4BKMT2A
SCHEMBL7141455 0.73 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ENPC1NR2F2RAB9A
SCHEMBL7896851 0.71 KDM4E (0.57) SMN1; SMN2KDM4ENPC1NR2F2RAB9A
SCHEMBL2824399 0.70 CA12 (0.56) KDM4ERAB9AKMT2ACA12CA1
SCHEMBL13060618 0.69 KMT2A (0.50) SMN1; SMN2KDM4ENPC1NR2F2RAB9A
SCHEMBL4375225 0.67 CA12 (0.47) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL19509379 0.66 ALDH1A1 (0.35) SMN1; SMN2PDE4BKMT2ACA12CA1
SCHEMBL666590 0.65

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-4283333-A α-[4-Oxoazetidin-1-yl]-acetic acid compounds useful as intermediates in preparing 1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1981-08-11 US claimed
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-4119775-A ANTIBACTERIAL RICHARDSON-MERRELL INC. (US) 1978-10-10 US disclosed
US-3989687-A ANTIBACTERIAL RICHARDSON-MERRELL INC. (US) 1976-11-02 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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB SMN1; SMN2 3303/4885KDM4E 1370/4885NPC1 4115/4885

“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.