SCHEMBL10220635

SCHEMBL10220635

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.74
▸ RAB9A P51151 12/20 0.70
▸ NPC1 O15118 10/20 0.70
▸ KMT2A Q03164 8/20 0.70
▸ MEN1 O00255 6/20 0.70
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ POLB P06746 2/20 0.68
▸ MAPT P10636 5/20 0.66
▸ LMNA P02545 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ PAX8 Q06710 1/20 0.64
▸ KLF5 Q13887 1/20 0.64
▸ HTT P42858 2/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ NFKB2 Q00653 1/20 0.63
▸ RELA Q04206 1/20 0.63
▸ IDH1 O75874 1/20 0.62
▸ RXFP2 Q8WXD0 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ TP53 P04637 1/20 0.60

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
SCHEMBL19398209 0.83 CCR2 (0.57) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5597699 0.83 KMT2A (0.90) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL30101230 0.83 KMT2A (0.90) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL107421 0.83 RAB9A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL28665241 0.82 RXFP1 (0.76) CCR2RAB9ANPC1MAPTRXFP2
SCHEMBL12010919 0.82 RAB9A (0.84) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4548162 0.81 KMT2A (0.87) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4053993 0.81 MAPT (0.62) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL17609423 0.78 MAPT (1.00) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12692443 0.78 RAB9A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 — — US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 — — US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 — — US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 — — 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 (2 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT CCR2 4412/4885RAB9A 2490/4885NPC1 1310/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT CCR2 4412/4885RAB9A 2490/4885NPC1 1310/4885

“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.

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