SCHEMBL5852111

SCHEMBL5852111

Cc1ccc(NC(=O)NC(C)(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.53
PTPN7 P35236 1/20 0.51
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL13756247 0.92 RAB9A (0.81) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL7904977 0.83 RAB9A (0.52) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL1275920 0.83 ALDH1A1 (0.70) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL13141239 0.82 NPC1 (0.68) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL25750063 0.82 RAB9A (0.68) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL15946354 0.82 NPC1 (0.68) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL13234045 0.82 NPC1 (0.68) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL13377396 0.82 NPC1 (0.68) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL420210 0.82 MAPT (0.76) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL13993509 0.82 MAPT (0.61) RAB9ANPC1MEN1KMT2ATDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
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
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP 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 (7 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885MEN1 1437/4885
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 RAB9A 3431/4885NPC1 2518/4885MEN1 4398/4885
US-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES NOS3, NOS2, CBS RAB9A 2066/4885NPC1 3690/4885MEN1 4239/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885MEN1 1437/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT RAB9A 3832/4885NPC1 2350/4885MEN1 2234/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885MEN1 1437/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT RAB9A 3832/4885NPC1 2350/4885MEN1 2234/4885

“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.