SCHEMBL7532750

SCHEMBL7532750

N=C(NCCc1ccccc1)c1ccc(-c2cc(CN3CCN(CC(=O)O)CC3)on2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7535939 0.80 ITGB3 (0.48) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL7532761 0.80 HDAC3 (0.47) KMT2AHDAC4HDAC3HDAC1HDAC7
SCHEMBL7532662 0.76 HDAC1 (0.52) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL7533130 0.74 ITGB3 (0.48) ALDH1A1
SCHEMBL7534690 0.73 HDAC6 (0.40) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL7527805 0.72 ITGB3 (0.47) ALDH1A1
SCHEMBL7535956 0.71 HDAC3 (0.54) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL7524935 0.70 ITGB3 (0.47) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7527227 0.70 ITGB3 (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7529800 0.69 ITGB3 (0.46)

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
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US claimed
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 claimed
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

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 MEN1 4504/4885KMT2A 4689/4885HDAC4 3743/4885

“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.