SCHEMBL7531082

SCHEMBL7531082

O=C(O)CN1CCN(CC2CC(c3ccc(C=NNCc4cccc5ccccc45)cc3)NO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ FAAH O00519 1/20 0.35
▸ POLB P06746 4/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TRPM5 Q9NZQ8 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SLC6A1 P30531 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ UTS2R Q9UKP6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL7529760 0.84 POLB (0.34) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL7533134 0.83 ACHE (0.37) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL7531880 0.83 POLB (0.36) SMN1; SMN2KMT2APOLBMAPTL3MBTL1
SCHEMBL7529247 0.83 THRB (0.37) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL7525406 0.82 HTT (0.36) POLBTRPM5HTTLMNAL3MBTL1
SCHEMBL7528865 0.82 POLB (0.34) SMN1; SMN2POLBSLC6A1L3MBTL1ALDH1A1
SCHEMBL7532573 0.81 POLB (0.33) SMN1; SMN2KMT2APOLBMAPTHTT
SCHEMBL7528715 0.81 SMN1; SMN2 (0.33) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL7527817 0.81 ACHE (0.35) SMN1; SMN2KMT2AMEN1POLBCYP2C19
SCHEMBL7528229 0.81 ALDH1A1 (0.34) SMN1; SMN2POLBCYP2C19MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 — — US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 — — US disclosed
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 — — 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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB SMN1; SMN2 4508/4885KMT2A 4689/4885MEN1 4504/4885

“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.

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