SCHEMBL7529774

SCHEMBL7529774

O=C(O)CN1CCN(CC2CC(c3ccc(C=NNCc4ccccn4)cc3)=NO2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MIF P14174 7/20 0.36
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
S1PR1 P21453 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL7534717 0.92 ITGB3 (0.39) NPC1KMT2ALMNACYP3A4CYP2C19
SCHEMBL7525051 0.89 ATM (0.40) KMT2ALMNAALDH1A1MIFPOLB
SCHEMBL7525075 0.89 ATM (0.40) KMT2ALMNAALDH1A1MIFPOLB
SCHEMBL7529256 0.86 MIF (0.38) ITGB3ITGA2BMIFPOLBHDAC6
SCHEMBL7525415 0.85 POLB (0.41) KMT2AITGB3ITGA2BMIFPOLB
SCHEMBL7533142 0.84 MIF (0.38) LMNAALDH1A1ITGB3ITGA2BMIF
SCHEMBL7531875 0.84 MIF (0.38) NPC1KMT2ALMNACYP2C19CYP1A2
SCHEMBL7531887 0.84 MIF (0.38) NPC1KMT2ALMNACYP2C19CYP1A2
SCHEMBL7531087 0.84 SMN1; SMN2 (0.40) KMT2ALMNACYP2C19ALDH1A1MIF
SCHEMBL7528867 0.83 MIF (0.40) ITGB3ITGA2BMIFHDAC6

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-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 NPC1 3438/4885KMT2A 4689/4885LMNA 3189/4885

“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.