SCHEMBL23456385

SCHEMBL23456385

CCCNC(=O)Nc1ccc(I)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 5/20 0.55
EPHX1 P07099 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
CNR1 P21554 1/20 0.50
LMNA P02545 1/20 0.50
NAMPT P43490 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
FOLH1 Q04609 1/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.48
MITF O75030 1/20 0.48
S1PR1 P21453 1/20 0.48
FPR2 P25090 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL22171328 0.90 EPHX1 (0.62) KMT2AMEN1MAPTEPHX1ALDH1A1
SCHEMBL13382309 0.85 FPR2 (0.54) KMT2AMEN1EPHX1CNR1FOLH1
SCHEMBL14423994 0.84 KMT2A (0.66) KMT2AMEN1MAPTEPHX1ALDH1A1
SCHEMBL8803832 0.84 KMT2A (0.66) KMT2AMEN1MAPTEPHX1ALDH1A1
SCHEMBL10192175 0.84 MEN1 (0.66) KMT2AMEN1MAPTEPHX1ALDH1A1
SCHEMBL14423986 0.84 MAPT (0.76) KMT2AMEN1MAPTEPHX1ALDH1A1
SCHEMBL8685003 0.82 KMT2A (0.64) KMT2AMEN1MAPTEPHX1ALDH1A1
SCHEMBL8578118 0.82 CNR1 (0.73) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL12706054 0.82 KMT2A (0.69) KMT2AMEN1MAPTEPHX1ALDH1A1
SCHEMBL4708584 0.82 CNR1 (0.50) EPHX1CNR1FOLH1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES UNIVERSITé LAVAL (CA) 2021-06-03 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-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES NOS3, NOS2, CBS KMT2A 4621/4885MEN1 4239/4885MAPT 2476/4885

“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.