SCHEMBL2224950

SCHEMBL2224950

CCC(Br)C(=O)NC(C)(C)CO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
CNR1 P21554 5/20 0.31
CNR2 P34972 5/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
PTGS1 P23219 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6485296 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ANPC1POLBUSP2
SCHEMBL2220595 0.79 ALDH1A1 (0.41) ALDH1A1KMT2A
SCHEMBL13850704 0.79 TSHR (0.46) KMT2ANPC1RAB9AATMPOLB
SCHEMBL13942281 0.78 CNR1 (0.35) ALDH1A1KMT2ANPC1RAB9AATM
SCHEMBL2863347 0.77 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL2223302 0.75 ALDH1A1 (0.38) ALDH1A1KMT2A
SCHEMBL27468857 0.75 ALDH1A1 (0.39) ALDH1A1KMT2AUSP2TSHR
SCHEMBL8621951 0.74 ATM (0.36) NPC1RAB9AATMPOLBCNR1
SCHEMBL11519053 0.73 ALDH1A1 (0.35) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL1582839 0.72 MEN1 (0.36) KMT2ANPC1RAB9AATMPOLB

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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2012087372-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 WO 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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 ALDH1A1 1771/4885KMT2A 1406/4885NPC1 1045/4885

“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.