SCHEMBL5458528

SCHEMBL5458528

CC1Oc2ccc(CNCCCCCNC(=O)c3ccc(Cl)cc3)cc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.55
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SMYD3 Q9H7B4 2/20 0.46
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
USP2 O75604 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDR P35968 1/20 0.42
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MCHR1 Q99705 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL5465443 0.99 PARP1 (0.56) PARP1TP53POLBSMN1; SMN2SMYD3
SCHEMBL5470019 0.90 PARP1 (0.67) PARP1SMYD3BCHEACHEKDR
SCHEMBL5472590 0.82 PARP1 (0.58) PARP1TP53POLBSMN1; SMN2SMYD3
SCHEMBL6999731 0.82 PARP1 (0.80) PARP1TP53POLBSMN1; SMN2USP2
SCHEMBL5458540 0.81 SMYD3 (0.46) PARP1TP53POLBSMN1; SMN2SMYD3
SCHEMBL5471765 0.81 PARP1 (0.59) PARP1TP53POLBSMN1; SMN2SMYD3
SCHEMBL5465458 0.80 SMYD3 (0.46) PARP1TP53POLBSMN1; SMN2SMYD3
SCHEMBL7509962 0.79 PARP1 (0.67) PARP1TP53POLBSMN1; SMN2SMYD3
Hydrochloric Acid SCHEMBL5465701 0.78 BCHE (0.44) POLBSMN1; SMN2BCHEACHETMEM97
Hydrochloric Acid SCHEMBL5463828 0.78 PARP1 (0.66) PARP1TP53POLBSMN1; SMN2SMYD3

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-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-03-01 US disclosed
US-7141566-B1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-28 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-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents CYP3A5, XDH, CYP4Z1 PARP1 2890/4885TP53 3278/4885POLB 2443/4885

“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.