SCHEMBL2682362

SCHEMBL2682362

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)C#CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.80
▸ LMNA P02545 4/20 0.80
▸ ABCB11 O95342 4/20 0.80
▸ PGR P06401 4/20 0.80
▸ SLC6A4 P31645 3/20 0.80
▸ CYP2C19 P33261 3/20 0.80
▸ NR3C1 P04150 3/20 0.80
▸ ESR1 P03372 2/20 0.80
▸ SHBG P04278 2/20 0.80
▸ TSHR P16473 1/20 0.80
▸ HIF1A Q16665 1/20 0.80
▸ ALDH1A1 P00352 1/20 0.80
▸ ADRA2A P08913 1/20 0.80
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ AR P10275 3/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 2/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59

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
SCHEMBL10930563 0.91 CYP3A4 (0.77) CYP3A4LMNAABCB11PGRSLC6A4
SCHEMBL10477560 0.91 CYP3A4 (0.77) CYP3A4LMNAABCB11PGRSLC6A4
SCHEMBL10933842 0.91 CYP3A4 (0.77) CYP3A4LMNAABCB11PGRSLC6A4
SCHEMBL24476215 0.89 CYP3A4 (0.74) CYP3A4LMNAABCB11PGRSLC6A4
Norethindrone SCHEMBL14074493 0.89 CYP3A4 (1.00) CYP3A4LMNAABCB11PGRSLC6A4
Norethindrone SCHEMBL23390 0.89 CYP3A4 (1.00) CYP3A4LMNAABCB11PGRSLC6A4
Norethindrone SCHEMBL14577661 0.89 CYP3A4 (1.00) CYP3A4LMNAABCB11PGRSLC6A4
SCHEMBL18134271 0.89 CYP3A4 (0.80) CYP3A4LMNAABCB11PGRSLC6A4
Norethindrone SCHEMBL24476231 0.89 CYP3A4 (1.00) CYP3A4LMNAABCB11PGRSLC6A4
Norethindrone SCHEMBL7768886 0.89 CYP3A4 (1.00) CYP3A4LMNAABCB11PGRSLC6A4

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 CYP3A4 4822/4885LMNA 448/4885ABCB11 4848/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT CYP3A4 4822/4885LMNA 448/4885ABCB11 4848/4885

“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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