SCHEMBL5344472

SCHEMBL5344472

CC(C)(C)NC(=O)CCCCn1cnc2cnc3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
POLB P06746 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 2/20 0.44
LMNA P02545 4/20 0.44
THRB P10828 2/20 0.41
DUT P33316 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL3871840 0.92 POLB (0.53) POLBALDH1A1MAPTRECQLLMNA
SCHEMBL5617255 0.83 LMNA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5617084 0.82 EGLN3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5617140 0.79 POLB (0.51) POLBALDH1A1MAPTLMNATHRB
SCHEMBL3816238 0.79 TLR7 (0.47) HDAC6MAPTRECQLLMNANPC1
SCHEMBL4149860 0.79 SMN1; SMN2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5617100 0.78 TNF (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5354727 0.78 PDPK1 (0.44)
SCHEMBL1335070 0.77 POLB (0.41) POLBMAPTLMNAHTTSMN1; SMN2
SCHEMBL5350633 0.77 PDPK1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
EP-1198232-B1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-23 EP disclosed
US-20050131009-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-16 US disclosed
US-6897221-B2 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-24 US disclosed
US-6784188-B2 ADMINISTERING TO A MAMMAL 1H-IMIDAZO(4,5-C)QUINOLINE RING CONTAINING COMPOUND FOR THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLSATIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-6780873-B2 FOR INDUCING CYTOKINE BIOSYNTHESIS IN ANIMALS, AND IN THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-24 US disclosed
EP-1438958-A1 Carbamate substituted imidazoquinolines 3M Innovative Properties Company (US) 2004-07-21 EP disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
US-20040014754-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 US disclosed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 US disclosed
US-6541485-B1 Useful as immune response modifiers; they induce the biosynthesis of various cytokines and are used to treat viral diseases and neoplastic diseases. 3M INNOVATIVE PROPERTIES COMPANY 2003-04-01 US disclosed
EP-1198232-A4 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
EP-1198232-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP disclosed
WO-2000076518-A1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 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 (4 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-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 HDAC3 487/4885HDAC4 221/4885HDAC1 444/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 HDAC3 487/4885HDAC4 221/4885HDAC1 444/4885
US-20040014754-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 HDAC3 487/4885HDAC4 221/4885HDAC1 444/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 HDAC3 487/4885HDAC4 221/4885HDAC1 444/4885

“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.