SCHEMBL6400642

SCHEMBL6400642

O=C(COc1ccccn1)N1CCN(c2ccccc2-c2cc(CNc3ccon3)on2)CC1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1G O43497 2/20 0.30
CYP2E1 P05181 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL4682755 0.90 GRM5 (0.39) IGF1RMEN1KMT2ACACNA1G
SCHEMBL4678381 0.88 IDH1 (0.34) IGF1R
SCHEMBL4680812 0.88 CACNA1G (0.34) IGF1RMEN1KMT2ACACNA1GCYP2E1
SCHEMBL4742825 0.88 CACNA1G (0.33) IGF1RMEN1KMT2ACACNA1GCYP2E1
SCHEMBL4686052 0.87 CPT1A (0.37) MEN1KMT2A
SCHEMBL4787561 0.87 ALDH1A1 (0.34) MEN1KMT2ACACNA1G
SCHEMBL4684410 0.86 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL4686094 0.85 IDH1 (0.34) MEN1KMT2ACYP2E1
SCHEMBL4680646 0.85 ENPP2 (0.38)
SCHEMBL6400638 0.84 HCRTR2 (0.31)

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-20050014806-A1 Substituted isoxazoles and their use as antibiotics LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-01-20 US disclosed
EP-1437349-A1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-07-14 EP 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-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 IGF1R 798/4885MEN1 3331/4885KMT2A 3921/4885

“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.