SCHEMBL4548153

SCHEMBL4548153

O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.66
▸ MMP9 P14780 1/20 0.66
▸ MMP8 P22894 1/20 0.66
▸ MMP13 P45452 1/20 0.66
▸ TP53 P04637 1/20 0.65
▸ NAMPT P43490 3/20 0.64
▸ MGLL Q99685 8/20 0.58
▸ RAB9A P51151 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ NPC1 O15118 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL593642 0.85 TNF (0.71) MMP2MMP9MMP8MMP13TP53
SCHEMBL31000016 0.81 MMP2 (0.67) MMP2MMP9MMP8MMP13TP53
SCHEMBL20379246 0.80 MMP2 (0.78) MMP2MMP9MMP8MMP13TP53
SCHEMBL28760746 0.80 HSPD1 (0.56) RAB9AGAAPKMNPC1MAPT
SCHEMBL29612946 0.80 HSPD1 (0.56) RAB9AGAAPKMNPC1MAPT
SCHEMBL1987139 0.80 MMP2 (1.00) MMP2MMP9MMP8MMP13TP53
SCHEMBL7105704 0.79 RAB9A (0.74) MMP2MMP9MMP8MMP13TP53
SCHEMBL29636830 0.79 RAB9A (0.74) MMP2MMP9MMP8MMP13TP53
SCHEMBL28739949 0.79 CYP1A2 (0.56) MMP2MMP9MMP8MMP13TP53
SCHEMBL29538743 0.79 CYP1A2 (0.56) MMP2MMP9MMP8MMP13TP53

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 8 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-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-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-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
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 MMP2 3649/4885MMP9 4179/4885MMP8 1670/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MMP2 3649/4885MMP9 4179/4885MMP8 1670/4885

“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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